1-(3-methylphenyl)-5-nitro-1H-benzimidazole
TL;DR: 1-(3-methylphenyl)-5-nitro-1H-benzimidazole (CAS 695206-11-2) is a chemical compound with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-5-nitrobenzimidazole
Also Known As: 1-(3-methylphenyl)-5-nitro-1H-benzimidazole, 1-(3-methylphenyl)-5-nitrobenzimidazole, 1-(m-tolyl)-5-nitro-benzimidazole, 1-(3-methylphenyl)-5-nitro-1H-1,3-benzodiazole, 5-Nitro-1-m-tolyl-1H-benzo[d]imidazole
| Molecular Formula | C14H11N3O2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 3.24212 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.08513 |
| Heavy Atoms | 19 |
| Complexity | 777.21204 |
Chemical Identifiers
| CAS Number | 695206-11-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)[N+](=O)[O-] |
Product Overview
1-(3-methylphenyl)-5-nitro-1H-benzimidazole (CAS 695206-11-2), with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol. IUPAC: 1-(3-methylphenyl)-5-nitrobenzimidazole.
Chemical Property Profile of 1-(3-methylphenyl)-5-nitro-1H-benzimidazole
Property Insights of 1-(3-methylphenyl)-5-nitro-1H-benzimidazole
The XLogP value of 3.24212 indicates that 1-(3-methylphenyl)-5-nitro-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-methylphenyl)-5-nitro-1H-benzimidazole. Following Lipinski's Rule of Five, 1-(3-methylphenyl)-5-nitro-1H-benzimidazole 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-(3-methylphenyl)-5-nitro-1H-benzimidazole?
The CAS number of 1-(3-methylphenyl)-5-nitro-1H-benzimidazole is 695206-11-2.
What is the molecular formula of 1-(3-methylphenyl)-5-nitro-1H-benzimidazole?
The molecular formula of 1-(3-methylphenyl)-5-nitro-1H-benzimidazole is C14H11N3O2.
What is the molecular weight of 1-(3-methylphenyl)-5-nitro-1H-benzimidazole?
The molecular weight of 1-(3-methylphenyl)-5-nitro-1H-benzimidazole is 253.09 g/mol.
Where can I buy 1-(3-methylphenyl)-5-nitro-1H-benzimidazole?
You can request a quote for 1-(3-methylphenyl)-5-nitro-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-methylphenyl)-5-nitro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-methylphenyl)-5-nitro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.