6-Nitro-2-(phenylmethyl)-1H-benzimidazole
TL;DR: 6-Nitro-2-(phenylmethyl)-1H-benzimidazole (CAS 7189-72-2) 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.
2-benzyl-6-nitro-1H-benzimidazole
Also Known As: 2-Benzyl-5-nitro-1H-benzimidazole, 2-Benzyl-5-nitro-benzimidazole, Benzyl-2 nitro-5 benzimidazole, 2-benzyl-6-nitro-1H-benzimidazole, 2-Benzyl-5-nitrobenzimidazole
| Molecular Formula | C14H11N3O2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.08513 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 7189-72-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | UMWIVOZCYNITGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-2-(phenylmethyl)-1H-benzimidazole (CAS 7189-72-2), with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol. IUPAC: 2-benzyl-6-nitro-1H-benzimidazole.
Chemical Property Profile of 6-Nitro-2-(phenylmethyl)-1H-benzimidazole
Property Insights of 6-Nitro-2-(phenylmethyl)-1H-benzimidazole
The XLogP value of 3.7 indicates that 6-Nitro-2-(phenylmethyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-2-(phenylmethyl)-1H-benzimidazole. Following Lipinski's Rule of Five, 6-Nitro-2-(phenylmethyl)-1H-benzimidazole 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 6-Nitro-2-(phenylmethyl)-1H-benzimidazole?
The CAS number of 6-Nitro-2-(phenylmethyl)-1H-benzimidazole is 7189-72-2.
What is the molecular formula of 6-Nitro-2-(phenylmethyl)-1H-benzimidazole?
The molecular formula of 6-Nitro-2-(phenylmethyl)-1H-benzimidazole is C14H11N3O2.
What is the molecular weight of 6-Nitro-2-(phenylmethyl)-1H-benzimidazole?
The molecular weight of 6-Nitro-2-(phenylmethyl)-1H-benzimidazole is 253.09 g/mol.
Where can I buy 6-Nitro-2-(phenylmethyl)-1H-benzimidazole?
You can request a quote for 6-Nitro-2-(phenylmethyl)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-2-(phenylmethyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-2-(phenylmethyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.