2-Methyl-5-nitrobenzimidazole
TL;DR: 2-Methyl-5-nitrobenzimidazole (CAS 1792-40-1) 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.
2-methyl-6-nitro-1H-benzimidazole
Also Known As: 2-Methyl-5-nitrobenzimidazole, 2-Methyl-5-nitro-1H-benzimidazole, 2-methyl-6-nitro-1H-benzimidazole, 2-Methyl-5-nitro-1H-benzoimidazole, 2-methyl-5-nitro-1H-benzo[d]imidazole
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 1792-40-1 |
|---|---|
| SMILES | CC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | RKRXTVLCZDPERO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-nitrobenzimidazole (CAS 1792-40-1), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 2-methyl-6-nitro-1H-benzimidazole.
Chemical Property Profile of 2-Methyl-5-nitrobenzimidazole
Property Insights of 2-Methyl-5-nitrobenzimidazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-nitrobenzimidazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-nitrobenzimidazole. Following Lipinski's Rule of Five, 2-Methyl-5-nitrobenzimidazole has 1 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 2-Methyl-5-nitrobenzimidazole?
The CAS number of 2-Methyl-5-nitrobenzimidazole is 1792-40-1.
What is the molecular formula of 2-Methyl-5-nitrobenzimidazole?
The molecular formula of 2-Methyl-5-nitrobenzimidazole is C8H7N3O2.
What is the molecular weight of 2-Methyl-5-nitrobenzimidazole?
The molecular weight of 2-Methyl-5-nitrobenzimidazole is 177.05 g/mol.
Where can I buy 2-Methyl-5-nitrobenzimidazole?
You can request a quote for 2-Methyl-5-nitrobenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-nitrobenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-nitrobenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.