1-Methyl-6-nitrobenzimidazole
TL;DR: 1-Methyl-6-nitrobenzimidazole (CAS 5381-79-3) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-6-nitrobenzimidazole
Also Known As: 1-methyl-6-nitrobenzimidazole, 1-methyl-6-nitro-1H-benzimidazole, 1-Methyl-6-Nitro-1H-benzo[d]imidazole, 1H-Benzimidazole, 1-methyl-6-nitro-, 1-N-Methyl-5(6)-nitrobenzimidazole
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 5381-79-3 |
|---|---|
| SMILES | CN1C=NC2=C1C=C(C=C2)[N+](=O)[O-] |
| InChIKey | HVZQEZDKCBTTTL-UHFFFAOYSA-N |
Product Overview
1-Methyl-6-nitrobenzimidazole (CAS 5381-79-3), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 1-methyl-6-nitrobenzimidazole.
Chemical Property Profile of 1-Methyl-6-nitrobenzimidazole
Property Insights of 1-Methyl-6-nitrobenzimidazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-6-nitrobenzimidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-6-nitrobenzimidazole. Following Lipinski's Rule of Five, 1-Methyl-6-nitrobenzimidazole has 0 hydrogen bond donor(s) and 3 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 1-Methyl-6-nitrobenzimidazole?
The CAS number of 1-Methyl-6-nitrobenzimidazole is 5381-79-3.
What is the molecular formula of 1-Methyl-6-nitrobenzimidazole?
The molecular formula of 1-Methyl-6-nitrobenzimidazole is C8H7N3O2.
What is the molecular weight of 1-Methyl-6-nitrobenzimidazole?
The molecular weight of 1-Methyl-6-nitrobenzimidazole is 177.05 g/mol.
Where can I buy 1-Methyl-6-nitrobenzimidazole?
You can request a quote for 1-Methyl-6-nitrobenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-6-nitrobenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-6-nitrobenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.