5-Chloro-2-methylbenzimidazole
TL;DR: 5-Chloro-2-methylbenzimidazole (CAS 2818-69-1) is a chemical compound with molecular formula C8H7ClN2 and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-methyl-1H-benzimidazole
Also Known As: 5-Chloro-2-methylbenzimidazole, 5-chloro-2-methyl-1H-benzo[d]imidazole, rozalin, 5-Chloro-2-methyl-1H-benzimidazole, Rosalin
| Molecular Formula | C8H7ClN2 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.02977 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
| Melting Point | 197.2 °C |
| Solubility | less than 1 mg/mL at 70.7 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 2818-69-1 |
|---|---|
| SMILES | CC1=NC2=C(N1)C=C(C=C2)Cl |
| InChIKey | NICFDLORAOTXMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-methylbenzimidazole (CAS 2818-69-1), with molecular formula C8H7ClN2 and molecular weight 166.03 g/mol. IUPAC: 6-chloro-2-methyl-1H-benzimidazole.
Chemical Property Profile of 5-Chloro-2-methylbenzimidazole
Property Insights of 5-Chloro-2-methylbenzimidazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-methylbenzimidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 5-Chloro-2-methylbenzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-methylbenzimidazole 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 5-Chloro-2-methylbenzimidazole?
The CAS number of 5-Chloro-2-methylbenzimidazole is 2818-69-1.
What is the molecular formula of 5-Chloro-2-methylbenzimidazole?
The molecular formula of 5-Chloro-2-methylbenzimidazole is C8H7ClN2.
What is the molecular weight of 5-Chloro-2-methylbenzimidazole?
The molecular weight of 5-Chloro-2-methylbenzimidazole is 166.03 g/mol.
Where can I buy 5-Chloro-2-methylbenzimidazole?
You can request a quote for 5-Chloro-2-methylbenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-methylbenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-methylbenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.