![5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole structure](/static/products/4699/46992-58-9.webp)
5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole
TL;DR: 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole (CAS 46992-58-9) is a chemical compound with molecular formula C13H8ClN3O2 and molecular weight 273.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-(4-nitrophenyl)-1H-benzimidazole
Also Known As: 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole, 6-chloro-2-(4-nitrophenyl)-1H-benzimidazole, NCI60_019805, 5-chloro-2-(4-nitro-phenyl)-1h-benzoimidazole, 1h-benzimidazole, 6-chloro-2-(4-nitrophenyl)-
| Molecular Formula | C13H8ClN3O2 |
|---|---|
| Molecular Weight | 273.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.03052 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 46992-58-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-] |
| InChIKey | QKNRQPCMOBTDIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole (CAS 46992-58-9), with molecular formula C13H8ClN3O2 and molecular weight 273.03 g/mol. IUPAC: 6-chloro-2-(4-nitrophenyl)-1H-benzimidazole.
Chemical Property Profile of 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole
Property Insights of 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole
The XLogP value of 3.7 indicates that 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole 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 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole. Following Lipinski's Rule of Five, 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole 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 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole?
The CAS number of 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole is 46992-58-9.
What is the molecular formula of 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole?
The molecular formula of 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole is C13H8ClN3O2.
What is the molecular weight of 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole?
The molecular weight of 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole is 273.03 g/mol.
Where can I buy 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole?
You can request a quote for 5-Chloro-2-(4-nitrophenyl)-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 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(4-nitrophenyl)-1H-benzo[d]imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.