Cas no 67085-11-4 (a-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol)

a-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol structure
67085-11-4 structure
Product Name:a-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol
CAS No:67085-11-4
MF:C13H15ClN2O
MW:250.724002122879
CID:58535
PubChem ID:10955994
Update Time:2025-10-15

a-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol Chemical and Physical Properties

Names and Identifiers

    • 4-(4-Chlorophenyl)-1-(1H-imidazol-1-yl)butan-2-ol
    • 1-[4-(4-Chlorophenyl)-2-hydroxyl-butyl]imidazole
    • 1-[4-(4-Chlorophenyl)-2-hydroxylbutyl]imidazole
    • 4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-ol
    • 1-(4-(4-chlorophenyl)-2-hydroxybutyl)-imidazole
    • 1-[2-hydroxy-4-(4-chlorophenyl)-n-butyl]imidazole
    • 1-[4-(4-chlorophenyl)-2-hydroxy-n-butyl]-imidazole
    • 4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol
    • 4-(4-chloro-phenyl)-1-imidazol-1-yl-butan-2-ol
    • AC-6277
    • Butoconazole nitrate Intermediate
    • 1-[4-(4-Chlorophenyl)-2-hydroxyl-n-butyl]imidazole
    • [4-(4-chlorophenyl)--2-hydroxybutyl]-1H-imidazole
    • 1-[4-(4-chlorophenyl)-2-hydroxy-n-butyl]imidazole
    • 1-[4-(4-chlorophenyl)-2-hydroxy-n-butyl)-imidazole
    • 4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-ol
    • YAHZVMVZBIMHGM-UHFFFAOYSA-N
    • BCP10082
    • BDBM50183074
    • 0311AC
    • AX805554
    • SCHEMBL409343
    • 1-(4-(4-chlorophenyl)-2-hydroxylbutyl)imidazole
    • DTXSID80449756
    • FT-0689800
    • 4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol hydrochloride
    • D70981
    • CHEMBL581735
    • FT-0664903
    • (+/-)-1-(4-(4-chlorophenyl)-2-hydroxybutyl)imidazole
    • alpha-[2-(4-Chlorophenyl)ethyl]-1H-imidazole-1-ethanol
    • 67085-11-4
    • AKOS015899770
    • 4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)butan-2-ol hydrochloride
    • a-[2-(4-Chlorophenyl)ethyl]-1H-imidazole-1-ethanol
    • A9008
    • CHEMBL538578
    • CS-0157541
    • DS-16793
    • 1-(4-(4-chlorophenyl)-2-hydroxybutyl)imidazole
    • R5Z9NHV93F
    • 1H-Imidazole-1-ethanol, alpha-[2-(4-chlorophenyl)ethyl]-
    • DB-087687
    • 4-(4-Chlorophenyl)-1-(1H-imidazol-1-yl)butan-2-ol; Butoconazole Impurity 2;
    • a-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol
    • MDL: MFCD09751154
    • Inchi: 1S/C13H15ClN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2
    • InChI Key: YAHZVMVZBIMHGM-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)CCC(CN1C=NC=C1)O

Computed Properties

  • Exact Mass: 250.08700
  • Monoisotopic Mass: 250.0872908g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 220
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38
  • XLogP3: 2.3

Experimental Properties

  • Color/Form: No data available
  • Density: 1.2±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 472.2°C at 760 mmHg
  • Flash Point: 239.4±27.3 °C
  • Refractive Index: 1.59
  • PSA: 38.05000
  • LogP: 2.53020

a-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol Security Information

a-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol Customs Data

  • HS CODE:2933290090
  • Customs Data:

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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a-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol Suppliers

Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier Audited Supplier
(CAS:67085-11-4)1-[4-(4-Chlorophenyl)-2-hydroxyl-butyl]-1H-imidazole
Order Number:JH098;JH322
Stock Status:in Stock
Quantity:25kg
Purity:98.00%
Pricing Information Last Updated:Monday, 8 January 2024 17:37
Price ($): negotiated

a-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol Spectrogram

13C NMR
13C NMR
1H NMR 300 MHz DMSO
1H NMR

Additional information on a-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol

Introduction to A-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol (CAS No: 67085-11-4)

A-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol, identified by its Chemical Abstracts Service (CAS) number 67085-11-4, is a compound of significant interest in the field of pharmaceutical chemistry and medicinal biology. This molecule, featuring a 4-chlorophenyl group and an imidazole core, has garnered attention due to its structural complexity and potential biological activities. The presence of the ethanol moiety at the 1-position of the imidazole ring contributes to its unique chemical properties, making it a valuable scaffold for further derivatization and investigation.

The compound's structure combines elements that are frequently explored in drug discovery programs. The 4-chlorophenyl group is a common pharmacophore found in many bioactive molecules, known for its ability to interact with biological targets such as enzymes and receptors. The imidazole ring, a five-membered heterocyclic compound containing nitrogen, is another crucial feature that often influences the pharmacological profile of a molecule. Its aromatic nature and ability to form hydrogen bonds make it a versatile component in medicinal chemistry.

In recent years, there has been growing interest in imidazole derivatives due to their diverse biological activities. These compounds have been investigated for their potential roles in various therapeutic areas, including antimicrobial, antiviral, anti-inflammatory, and anticancer applications. The specific substitution pattern of A-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol positions it as a promising candidate for further exploration in these fields.

One of the most compelling aspects of this compound is its potential to serve as a lead molecule for drug development. The combination of the 4-chlorophenyl and imidazole moieties suggests that it may exhibit multiple modes of action, which could be advantageous in treating complex diseases. For instance, studies have shown that imidazole derivatives can modulate enzyme activity by acting as competitive inhibitors or substrates. The ethanol group further enhances its versatility by allowing for additional functionalization, enabling chemists to tailor its properties for specific biological targets.

Recent advancements in computational chemistry and molecular modeling have facilitated the rapid screening of such compounds for their biological potential. These tools allow researchers to predict how A-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol might interact with different proteins and enzymes, providing insights into its mechanism of action. Such virtual screening methods have become indispensable in modern drug discovery, reducing the time and cost associated with experimental testing.

The synthesis of A-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol also presents an interesting challenge for organic chemists. The construction of the imidazole ring requires precise control over reaction conditions to ensure high yield and purity. Additionally, introducing the 4-chlorophenyl group and the ethanol moiety necessitates careful selection of synthetic routes to avoid unwanted side reactions. Despite these challenges, the compound's potential biological significance makes it a worthwhile target for synthetic efforts.

In academic research, this compound has been studied for its interactions with various biological targets. For example, preliminary studies suggest that it may inhibit certain enzymes involved in inflammation pathways. The ability to modulate these pathways could make it useful in developing treatments for chronic inflammatory diseases such as rheumatoid arthritis or inflammatory bowel disease. Furthermore, its structural features might also make it effective against infectious diseases caused by bacteria or fungi.

The pharmaceutical industry has taken notice of compounds like A-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol, recognizing their potential as drug candidates. Many large corporations have established high-throughput screening (HTS) platforms specifically designed to identify novel bioactive molecules. These platforms often incorporate advanced robotics and automated data analysis systems to rapidly assess thousands of compounds for their biological activity. It is within such environments that small molecules like this one are evaluated for their therapeutic promise.

One particularly exciting area of research involves using A-2-(4-Chlorophenyl)ethyl-1H-imidazole-1-ethanol as a starting point for structure-based drug design (SBDD). SBDD leverages the three-dimensional structures of biological targets—such as proteins—to guide the design of molecules that fit precisely into their active sites. By understanding how this compound interacts with its targets at the molecular level, researchers can make informed modifications to improve its potency and selectivity.

The role of natural products in inspiration for synthetic analogs cannot be overstated either; while not directly derived from natural sources here but inspired by similar scaffolds found within nature which have proven fruitful paths before

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Shanghai Jinhuan Chemical CO., LTD.
(CAS:67085-11-4)1-[4-(4-Chlorophenyl)-2-hydroxyl-butyl]-1H-imidazole
JH098;JH322
Purity:98.00%/98.00%
Quantity:25kg/25kg
Price ($):Inquiry/Inquiry
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