![1-methyl-5-nitro-1H-benzo[d]imidazole structure](/static/products/5381/5381-78-2.webp)
1-methyl-5-nitro-1H-benzo[d]imidazole
TL;DR: 1-methyl-5-nitro-1H-benzo[d]imidazole (CAS 5381-78-2) 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-5-nitrobenzimidazole
Also Known As: 1-methyl-5-nitrobenzimidazole, 1-methyl-5-nitro-1H-benzo[d]imidazole, 1-N-Methyl-5-nitroindazole, 1-methyl-5-nitro-1H-1,3-benzimidazole, methylnitrobenzimidazole
| 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 | 5381-78-2 |
|---|---|
| SMILES | CN1C=NC2=C1C=CC(=C2)[N+](=O)[O-] |
| InChIKey | AMIYGFTVNIDCPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methyl-5-nitro-1H-benzo[d]imidazole (CAS 5381-78-2), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 1-methyl-5-nitrobenzimidazole.
Chemical Property Profile of 1-methyl-5-nitro-1H-benzo[d]imidazole
Property Insights of 1-methyl-5-nitro-1H-benzo[d]imidazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-5-nitro-1H-benzo[d]imidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-5-nitro-1H-benzo[d]imidazole. Following Lipinski's Rule of Five, 1-methyl-5-nitro-1H-benzo[d]imidazole 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-5-nitro-1H-benzo[d]imidazole?
The CAS number of 1-methyl-5-nitro-1H-benzo[d]imidazole is 5381-78-2.
What is the molecular formula of 1-methyl-5-nitro-1H-benzo[d]imidazole?
The molecular formula of 1-methyl-5-nitro-1H-benzo[d]imidazole is C8H7N3O2.
What is the molecular weight of 1-methyl-5-nitro-1H-benzo[d]imidazole?
The molecular weight of 1-methyl-5-nitro-1H-benzo[d]imidazole is 177.05 g/mol.
Where can I buy 1-methyl-5-nitro-1H-benzo[d]imidazole?
You can request a quote for 1-methyl-5-nitro-1H-benzo[d]imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-5-nitro-1H-benzo[d]imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-5-nitro-1H-benzo[d]imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.