Cas no 151012-31-6 (2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole)

2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole is a halogenated imidazole derivative with a unique structural framework, combining a butyl chain, a 4-bromobenzyl group, and a hydroxymethyl substituent. This compound exhibits potential as an intermediate in pharmaceutical synthesis, particularly in the development of bioactive molecules targeting enzyme inhibition or receptor modulation. The presence of both chloro and bromo substituents enhances its reactivity in cross-coupling reactions, while the hydroxymethyl group offers versatility for further functionalization. Its well-defined structure and stability under standard conditions make it suitable for research applications in medicinal chemistry and drug discovery. The compound's distinct substitution pattern may contribute to selective interactions in biological systems, warranting further investigation.
2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole structure
151012-31-6 structure
Product Name:2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole
CAS No:151012-31-6
MF:C15H18BrClN2O
MW:357.673222064972
MDL:MFCD16879003
CID:65232
PubChem ID:10473552
Update Time:2025-11-01

2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole Chemical and Physical Properties

Names and Identifiers

    • (1-(4-bromobenzyl)-2-butyl-5-chloro-2,3-dihydro-1H-imidazol-4-yl)methanol
    • 2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole
    • [3-[(4-bromophenyl)methyl]-2-butyl-4-chloro-1,2-dihydroimidazol-5-yl]methanol
    • 3-(4-BROMOBENZYL)-2-BUTYL-4-CHLORO-1H-IMIDAZOL-5-YLMETHANOL
    • [3-(4-bromo-benzyl)-2-butyl-5-chloro-3H-imidazol-4-yl]-methanol
    • 12(S)-HETE
    • 12(S)-HYDROXY-(5Z,8Z,10E,14Z)-EICOSATETRAENOIC ACID
    • 1H-Imidazole-5-methanol,1-[(4-bromophenyl)methyl]-2-butyl-4-chloro
    • 2-n-butyl-1-p-bromobenzyl-4-chloro-1H-imidazole-5-yl-methanol
    • 2-n-Butyl-4-chloro-1-(4-bromobenzyl)-1H-imidazole-5-methanol
    • 2-n-butyl-4-chloro-5-hydroxymethyl-1-p-bromobenzyl-1H-imidazole
    • 3-(4-BROMOBENZYL)-2-BUTYL-5- CHLORO-3H-IMIDAZOL-4-Y]
    • [1-(4-Bromobenzyl)-2-butyl-4-chloroimidazol-5-yl]methanol
    • 1-(4-Bromobenzyl)-2-butyl-4-chloro-1H-imidazole-5-methanol
    • 3-(4-Bromobenzyl)-2-butyl-4-chloro-1H-imidazole-5-methanol
    • (1-(4-bromobenzyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methanol
    • 1H-Imidazole-5-methanol,1-[(4-bromophenyl)methyl]-2-butyl-4-chloro-
    • 1-[(4-Bromophenyl)-methyl]-2-butyl-4-chloro-1H-imidazole-5-methanol
    • D95646
    • FT-0654019
    • SCHEMBL984922
    • EC 604-770-4
    • Q27295005
    • AKOS015835613
    • UNII-Z544Y1FLS3
    • 1H-Imidazole-5-methanol, 1-[(4-bromophenyl)methyl]-2-butyl-4-chloro
    • 1H-IMIDAZOLE-5-METHANOL, 1-((4-BROMOPHENYL)METHYL)-2-BUTYL-4-CHLORO-
    • NS00077346
    • SS-3086
    • Z544Y1FLS3
    • AC-8196
    • 1H-Imidazole-5-methanol, 1-[(4-bromophenyl)methyl]-2-butyl-4-chloro-
    • LOSZLEJFCKVKOK-UHFFFAOYSA-N
    • [3-[(4-bromophenyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol
    • [1-(4-bromobenzyl)-2-butyl-4-chloro-1H-imidazol-5-yl]methanol
    • 151012-31-6
    • 2-n-butyl-1-p-bromobenzyl-4-chloro-1H-imidazole-5-ylmethanol
    • (1-(4- Bromobenzyl) -2-butyl-4-chloro-1H-imidazol-5-yl)methanol
    • MDL： MFCD16879003
    • Inchi： 1S/C15H18BrClN2O/c1-2-3-4-14-18-15(17)13(10-20)19(14)9-11-5-7-12(16)8-6-11/h5-8,20H,2-4,9-10H2,1H3
    • InChI Key： LOSZLEJFCKVKOK-UHFFFAOYSA-N
    • SMILES： BrC1C=CC(=CC=1)CN1C(CO)=C(N=C1CCCC)Cl

Computed Properties

  • Exact Mass: 356.02900
  • Monoisotopic Mass: 356.02910g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 287
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 38?2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.42
  • Melting Point: No data available
  • Boiling Point: 491.953°C at 760 mmHg
  • Flash Point: 251.3±27.3 °C
  • Refractive Index: 1.605
  • Solubility: 可溶于氯仿（少許）、乙酸乙酯（少許）、甲醇（少許）
  • PSA: 38.05000
  • LogP: 4.18220
  • Vapor Pressure: No data available
  • pka: 13.65±0.10(Predicted)

2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole Security Information

2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole 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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2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole Production Method

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(CAS:151012-31-6)3-(4-BROMOBENZYL)-2-BUTYL-4-CHLORO-1H-IMIDAZOL-5-YLMETHANOL
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Purity:98%
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Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:151012-31-6)3-(4-溴芐基)-2-丁基-5-氯-4-咪唑甲醇
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2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole Related Literature

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Additional information on 2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole

Comprehensive Overview of 2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole (CAS No. 151012-31-6)

The compound 2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole (CAS No. 151012-31-6) is a specialized imidazole derivative with a unique structural framework. Its molecular formula, C15H18BrClN2O, highlights the presence of a bromobenzyl group, a chloro substituent, and a hydroxymethyl functionality, making it a versatile intermediate in organic synthesis. Researchers and pharmaceutical developers are increasingly interested in this compound due to its potential applications in medicinal chemistry and drug discovery.

In recent years, the demand for imidazole-based compounds has surged, driven by their role in designing bioactive molecules. The 2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole stands out for its ability to serve as a precursor for heterocyclic scaffolds, which are critical in developing kinase inhibitors and anti-inflammatory agents. Its CAS No. 151012-31-6 is frequently searched in academic databases, reflecting its relevance in high-throughput screening and structure-activity relationship (SAR) studies.

One of the trending topics in chemical research is the exploration of sustainable synthesis methods. The compound’s hydroxymethyl group offers opportunities for green chemistry applications, such as catalytic modifications or biocatalytic transformations. This aligns with the growing emphasis on environmentally friendly processes in the pharmaceutical industry. Additionally, its bromobenzyl moiety is a key feature for cross-coupling reactions, a hot topic in organometallic chemistry.

From a structural perspective, the compound’s imidazole core is notable for its hydrogen-bonding capacity, which enhances its interactions with biological targets. This property is particularly valuable in computational chemistry and molecular docking studies, where researchers aim to predict binding affinities for drug-like molecules. The 4-chloro substituent further contributes to its lipophilicity, a factor often optimized in lead compound development.

Another area of interest is the compound’s potential role in central nervous system (CNS) drug design. The butyl chain and aromatic bromine group may influence blood-brain barrier permeability, a critical parameter for neurotherapeutic agents. This aligns with current searches for novel CNS targets and small-molecule modulators in neurodegenerative research.

In summary, 2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole (CAS No. 151012-31-6) is a multifaceted compound with significant potential in drug development and material science. Its structural features and reactivity profile make it a valuable subject for ongoing research, particularly in the context of precision medicine and targeted therapies. As the scientific community continues to explore its applications, this compound is poised to remain a focal point in innovative chemical synthesis.

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