1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-
TL;DR: 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)- (CAS 3718-03-4) 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-methyl-2-(4-nitrophenyl)benzimidazole
Also Known As: 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-, 1-methyl-2-(4-nitrophenyl)benzimidazole, 1-METHYL-2-(4-NITROPHENYL)-1,3-BENZODIAZOLE, 1-methyl-2-(4-nitrophenyl)-1h-benzo[d]imidazole, J2.479.358C
| Molecular Formula | C14H11N3O2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.08513 |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 3718-03-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | FIRXFJFJHQIIRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)- (CAS 3718-03-4), with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol. IUPAC: 1-methyl-2-(4-nitrophenyl)benzimidazole.
Chemical Property Profile of 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-
Property Insights of 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)- 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 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-?
The CAS number of 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)- is 3718-03-4.
What is the molecular formula of 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-?
The molecular formula of 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)- is C14H11N3O2.
What is the molecular weight of 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-?
The molecular weight of 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)- is 253.09 g/mol.
Where can I buy 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-?
You can request a quote for 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.