5-chloro-1H-benzimidazole
TL;DR: 5-chloro-1H-benzimidazole (CAS 4887-82-5) is a chemical compound with molecular formula C7H5ClN2 and molecular weight 152.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1H-benzimidazole
Also Known As: 5-Chlorobenzimidazole, 5-Chloro-1H-benzimidazole, 6-chloro-1H-benzimidazole, 6-chloro-1H-benzo[d]imidazole, 3kqw
| Molecular Formula | C7H5ClN2 |
|---|---|
| Molecular Weight | 152.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.01413 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 4887-82-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC=N2 |
| InChIKey | NKLOLMQJDLMZRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-chloro-1H-benzimidazole (CAS 4887-82-5), with molecular formula C7H5ClN2 and molecular weight 152.01 g/mol. IUPAC: 6-chloro-1H-benzimidazole.
Chemical Property Profile of 5-chloro-1H-benzimidazole
Property Insights of 5-chloro-1H-benzimidazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-1H-benzimidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 5-chloro-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-1H-benzimidazole 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-1H-benzimidazole?
The CAS number of 5-chloro-1H-benzimidazole is 4887-82-5.
What is the molecular formula of 5-chloro-1H-benzimidazole?
The molecular formula of 5-chloro-1H-benzimidazole is C7H5ClN2.
What is the molecular weight of 5-chloro-1H-benzimidazole?
The molecular weight of 5-chloro-1H-benzimidazole is 152.01 g/mol.
Where can I buy 5-chloro-1H-benzimidazole?
You can request a quote for 5-chloro-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.