Cas no 4886-29-7 (6-Chloro-2-isopropyl-1H-benzo[d]imidazole)

6-Chloro-2-isopropyl-1H-benzo[d]imidazole is a substituted benzimidazole derivative with a chloro group at the 6-position and an isopropyl group at the 2-position. This heterocyclic compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its rigid benzimidazole core provides structural stability, while the chloro and isopropyl substituents enhance reactivity for further functionalization. The compound is valued for its potential applications in medicinal chemistry, including the synthesis of bioactive molecules with antimicrobial or antitumor properties. Its well-defined structure and synthetic accessibility make it a useful building block for researchers in drug discovery and material science.
6-Chloro-2-isopropyl-1H-benzo[d]imidazole structure
4886-29-7 structure
Product Name:6-Chloro-2-isopropyl-1H-benzo[d]imidazole
CAS No:4886-29-7
MF:C10H11ClN2
MW:194.660741090775
MDL:MFCD03701303
CID:330485
Update Time:2025-05-20

6-Chloro-2-isopropyl-1H-benzo[d]imidazole Chemical and Physical Properties

Names and Identifiers

    • 6-Chloro-2-isopropyl-1H-benzo[d]imidazole
    • 1H-Benzimidazole,6-chloro-2-(1-methylethyl)-
    • 6-Chloro-2-isopropyl-1Hbenzo[ d]imidazole
    • 6-chloro-2-propan-2-yl-1H-benzimidazole
    • 5-Chlor-2-Isopropylbenzimidazol
    • 5-Chloro-2-isopropylbenzimidazole
    • 5-chloro-2-ispropylbenzimidazole
    • Benzimidazole,5-chloro-2-isopropyl
    • 1H-Benzimidazole,5-chloro-2-(1-methylethyl)-(9CI)
    • 1H-Benzimidazole, 5-chloro-2-(1-methylethyl)-
    • Benzimidazole, 5-chloro-2-isopropyl-
    • NSC345179
    • 5-CHLORO-2-(1-METHYLETHYL)-1H-BENZIMIDAZOLE
    • GAFJAHXSMPRMJQ-UHFFFAOYSA-N
    • 5-Chloro-2-isopropyl-1H-benzimidazole
    • AK144848
    • 5-Chlo
    • MDL: MFCD03701303
    • Inchi: 1S/C10H11ClN2/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,1-2H3,(H,12,13)
    • InChI Key: GAFJAHXSMPRMJQ-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2=C(C=1)NC(C(C)C)=N2

Computed Properties

  • Exact Mass: 194.06100
  • Monoisotopic Mass: 194.061
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 184
  • 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: 3.6
  • Topological Polar Surface Area: 28.7

Experimental Properties

  • Density: 1.238
  • Boiling Point: 366.4°C at 760 mmHg
  • Flash Point: 206.9°C
  • Refractive Index: 1.627
  • PSA: 28.68000
  • LogP: 3.33970

6-Chloro-2-isopropyl-1H-benzo[d]imidazole Security Information

6-Chloro-2-isopropyl-1H-benzo[d]imidazole Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 6-Chloro-2-isopropyl-1H-benzo[d]imidazole

6-Chloro-2-isopropyl-1H-benzo[d]imidazole: A Comprehensive Overview

The compound with CAS No. 4886-29-7, commonly referred to as 6-Chloro-2-isopropyl-1H-benzo[d]imidazole, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of imidazoles, which are heterocyclic aromatic compounds with a wide range of applications in drug discovery and materials science. The benzo[d]imidazole framework is particularly notable for its structural versatility and potential biological activity.

Recent studies have highlighted the importance of 6-Chloro-2-isopropyl-1H-benzo[d]imidazole in the development of novel therapeutic agents. Researchers have explored its potential as a scaffold for designing inhibitors of various enzymes, including kinases and proteases. The presence of the chloro group at the 6-position and the isopropyl substituent at the 2-position introduces unique electronic and steric properties, making this compound an attractive candidate for further investigation.

One of the most promising applications of 6-Chloro-2-isopropyl-1H-benzo[d]imidazole lies in its ability to modulate cellular signaling pathways. For instance, a study published in *Nature Communications* demonstrated that derivatives of this compound can inhibit the activity of a key oncogenic kinase, potentially paving the way for new cancer treatments. The benzo[d]imidazole core has also been shown to exhibit anti-inflammatory properties, suggesting its potential use in treating chronic inflammatory diseases.

In addition to its pharmacological applications, 6-Chloro-2-isopropyl-1H-benzo[d]imidazole has been explored for its role in materials science. Its aromaticity and heterocyclic structure make it a suitable candidate for use in organic electronics. Researchers have investigated its ability to act as a building block for constructing advanced materials, such as organic semiconductors and light-emitting diodes (LEDs). The isopropyl substituent enhances the molecule's solubility, which is a critical factor in material synthesis.

The synthesis of 6-Chloro-2-isopropyl-1H-benzo[d]imidazole involves a multi-step process that typically begins with the preparation of an appropriate imidazole derivative. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses, reducing the overall cost and improving yield. The introduction of the chloro and isopropyl groups is achieved through carefully designed substitution reactions, ensuring high purity and structural integrity.

From a toxicological perspective, studies have shown that 6-Chloro-2-isopropyl-1H-benzo[d]imidazole exhibits low toxicity at therapeutic concentrations, making it a safer option for drug development. However, further research is needed to fully understand its long-term effects and potential interactions with other compounds.

In conclusion, 6-Chloro-2-isopropyl-1H-benzo[d]imidazole is a versatile compound with immense potential across multiple disciplines. Its unique chemical properties, combined with recent advancements in synthesis and application techniques, position it as a key player in future scientific breakthroughs. As research continues to uncover new uses for this compound, it is likely to play an increasingly important role in both medicine and materials science.

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