5-Methylbenzimidazole
TL;DR: 5-Methylbenzimidazole (CAS 614-97-1) is a chemical compound with molecular formula C8H8N2 and molecular weight 132.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1H-benzimidazole
Also Known As: 5-Methylbenzimidazole, 5-methyl-1H-benzo[d]imidazole, 5-methyl-1H-benzimidazole, 6-methyl-1H-benzimidazole, 1H-Benzimidazole, 5-methyl-
| Molecular Formula | C8H8N2 |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.06874 |
| Heavy Atoms | 10 |
| Complexity | 124.0 |
| Melting Point | 114-117 °C |
| Boiling Point | 169-172 °C at 1.00E+00 mm Hg |
Chemical Identifiers
| CAS Number | 614-97-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=CN2 |
| InChIKey | RWXZXCZBMQPOBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylbenzimidazole (CAS 614-97-1), with molecular formula C8H8N2 and molecular weight 132.07 g/mol. IUPAC: 6-methyl-1H-benzimidazole.
Chemical Property Profile of 5-Methylbenzimidazole
Property Insights of 5-Methylbenzimidazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylbenzimidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 5-Methylbenzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-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-Methylbenzimidazole?
The CAS number of 5-Methylbenzimidazole is 614-97-1.
What is the molecular formula of 5-Methylbenzimidazole?
The molecular formula of 5-Methylbenzimidazole is C8H8N2.
What is the molecular weight of 5-Methylbenzimidazole?
The molecular weight of 5-Methylbenzimidazole is 132.07 g/mol.
Where can I buy 5-Methylbenzimidazole?
You can request a quote for 5-Methylbenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylbenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylbenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.