1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine
TL;DR: 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine (CAS 754995-87-4) is a chemical compound with molecular formula C17H16N4O2 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-[(3-nitrophenyl)methyl]-5-phenylimidazol-2-amine
Also Known As: BAS 11099870, 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine, (1-Methyl-5-phenyl-1H-imidazol-2-yl)-(3-nitro-benzyl)-amine, 1-methyl-N-[(3-nitrophenyl)methyl]-5-phenylimidazol-2-amine
| Molecular Formula | C17H16N4O2 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 3.6074 |
| Topological Polar Surface Area | 72.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.12732 |
| Heavy Atoms | 23 |
| Complexity | 827.61957 |
Chemical Identifiers
| CAS Number | 754995-87-4 |
|---|---|
| SMILES | CN1C(=CN=C1NCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine (CAS 754995-87-4), with molecular formula C17H16N4O2 and molecular weight 308.13 g/mol. IUPAC: 1-methyl-N-[(3-nitrophenyl)methyl]-5-phenylimidazol-2-amine.
Chemical Property Profile of 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine
Property Insights of 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine
The XLogP value of 3.6074 indicates that 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine. Following Lipinski's Rule of Five, 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine has 1 hydrogen bond donor(s) and 4 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-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine?
The CAS number of 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine is 754995-87-4.
What is the molecular formula of 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine?
The molecular formula of 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine is C17H16N4O2.
What is the molecular weight of 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine?
The molecular weight of 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine is 308.13 g/mol.
Where can I buy 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine?
You can request a quote for 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-N-(3-nitrobenzyl)-5-phenyl-1H-imidazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.