5-Nitro-2-p-tolyl-1H-benzoimidazole
TL;DR: 5-Nitro-2-p-tolyl-1H-benzoimidazole (CAS 1571-90-0) 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-(4-methylphenyl)-6-nitro-1H-benzimidazole
Also Known As: 5-Nitro-2-p-tolyl-1H-benzoimidazole, 2-(4-methylphenyl)-6-nitro-1H-benzimidazole, ZERENEX E/6023016, 5-Nitro-2-(p-tolyl)-1H-benzo[d]imidazole, 6-nitro-2-(p-tolyl)-1H-benzimidazole
| Molecular Formula | C14H11N3O2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.08513 |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 1571-90-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | AAMPIRQLXWIYCV-UHFFFAOYSA-N |
Product Overview
5-Nitro-2-p-tolyl-1H-benzoimidazole (CAS 1571-90-0), with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol. IUPAC: 2-(4-methylphenyl)-6-nitro-1H-benzimidazole.
Chemical Property Profile of 5-Nitro-2-p-tolyl-1H-benzoimidazole
Property Insights of 5-Nitro-2-p-tolyl-1H-benzoimidazole
The XLogP value of 3.8 indicates that 5-Nitro-2-p-tolyl-1H-benzoimidazole 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-Nitro-2-p-tolyl-1H-benzoimidazole. Following Lipinski's Rule of Five, 5-Nitro-2-p-tolyl-1H-benzoimidazole 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-Nitro-2-p-tolyl-1H-benzoimidazole?
The CAS number of 5-Nitro-2-p-tolyl-1H-benzoimidazole is 1571-90-0.
What is the molecular formula of 5-Nitro-2-p-tolyl-1H-benzoimidazole?
The molecular formula of 5-Nitro-2-p-tolyl-1H-benzoimidazole is C14H11N3O2.
What is the molecular weight of 5-Nitro-2-p-tolyl-1H-benzoimidazole?
The molecular weight of 5-Nitro-2-p-tolyl-1H-benzoimidazole is 253.09 g/mol.
Where can I buy 5-Nitro-2-p-tolyl-1H-benzoimidazole?
You can request a quote for 5-Nitro-2-p-tolyl-1H-benzoimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-p-tolyl-1H-benzoimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-p-tolyl-1H-benzoimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.