Benzimidazole, 1-chloromethyl-, hydrochloride
TL;DR: Benzimidazole, 1-chloromethyl-, hydrochloride (CAS 75802-91-4) is a chemical compound with molecular formula C8H8Cl2N2 and molecular weight 202.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-1H-benzimidazol-3-ium chloride
Also Known As: 1-Chloromethyl-benzimidazolehydrochloride, BENZIMIDAZOLE, 1-CHLOROMETHYL-, HYDROCHLORIDE, 3-(chloromethyl)-1H-benzimidazol-3-ium chloride
| Molecular Formula | C8H8Cl2N2 |
|---|---|
| Molecular Weight | 202.01 g/mol |
| LogP | -1.34 |
| Topological Polar Surface Area | 19.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.00645 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 75802-91-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC=[N+]2CCl.[Cl-] |
| InChIKey | ZILXDWJVIMOFAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzimidazole, 1-chloromethyl-, hydrochloride (CAS 75802-91-4), with molecular formula C8H8Cl2N2 and molecular weight 202.01 g/mol. IUPAC: 3-(chloromethyl)-1H-benzimidazol-3-ium chloride.
Chemical Property Profile of Benzimidazole, 1-chloromethyl-, hydrochloride
Property Insights of Benzimidazole, 1-chloromethyl-, hydrochloride
The XLogP value of -1.34 indicates that Benzimidazole, 1-chloromethyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 19.7 Ų, Benzimidazole, 1-chloromethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazole, 1-chloromethyl-, hydrochloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzimidazole, 1-chloromethyl-, hydrochloride?
The CAS number of Benzimidazole, 1-chloromethyl-, hydrochloride is 75802-91-4.
What is the molecular formula of Benzimidazole, 1-chloromethyl-, hydrochloride?
The molecular formula of Benzimidazole, 1-chloromethyl-, hydrochloride is C8H8Cl2N2.
What is the molecular weight of Benzimidazole, 1-chloromethyl-, hydrochloride?
The molecular weight of Benzimidazole, 1-chloromethyl-, hydrochloride is 202.01 g/mol.
Where can I buy Benzimidazole, 1-chloromethyl-, hydrochloride?
You can request a quote for Benzimidazole, 1-chloromethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 1-chloromethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 1-chloromethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.