5-Chloro-1,6-dimethylbenzimidazole
TL;DR: 5-Chloro-1,6-dimethylbenzimidazole (CAS 81449-99-2) is a chemical compound with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,6-dimethylbenzimidazole
Also Known As: 5-chloro-1,6-dimethylbenzimidazole, 1H-Benzimidazole,5-chloro-1,6-dimethyl-, 5-chloro-1,6-dimethyl-1H-benzimidazole, 5-Chloro-1,6-dimethyl-1H-benzo[d]imidazole, 5-Chloro-1,6-dimethyl-1H-1,3-benzimidazole
| Molecular Formula | C9H9ClN2 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.04543 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 81449-99-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)N=CN2C |
| InChIKey | ZEYPSQGLVLOLLD-UHFFFAOYSA-N |
Product Overview
5-Chloro-1,6-dimethylbenzimidazole (CAS 81449-99-2), with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol. IUPAC: 5-chloro-1,6-dimethylbenzimidazole.
Chemical Property Profile of 5-Chloro-1,6-dimethylbenzimidazole
Property Insights of 5-Chloro-1,6-dimethylbenzimidazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1,6-dimethylbenzimidazole. With a topological polar surface area (TPSA) of 17.8 Ų, 5-Chloro-1,6-dimethylbenzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1,6-dimethylbenzimidazole has 0 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-1,6-dimethylbenzimidazole?
The CAS number of 5-Chloro-1,6-dimethylbenzimidazole is 81449-99-2.
What is the molecular formula of 5-Chloro-1,6-dimethylbenzimidazole?
The molecular formula of 5-Chloro-1,6-dimethylbenzimidazole is C9H9ClN2.
What is the molecular weight of 5-Chloro-1,6-dimethylbenzimidazole?
The molecular weight of 5-Chloro-1,6-dimethylbenzimidazole is 180.05 g/mol.
Where can I buy 5-Chloro-1,6-dimethylbenzimidazole?
You can request a quote for 5-Chloro-1,6-dimethylbenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1,6-dimethylbenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1,6-dimethylbenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.