1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)-
TL;DR: 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)- (CAS 91089-21-3) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-methyl-5-nitroimidazol-4-amine
Also Known As: N-benzyl-1-methyl-4-nitro-1H-imidazol-5-amine, N-benzyl-3-methyl-5-nitroimidazol-4-amine, 1-Methyl-4-nitro-5-benzylamino-imidazol, 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)-, Benzyl-(3-methyl-5-nitro-3H-imidazol-4-yl)-amine
| Molecular Formula | C11H12N4O2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 1.9404 |
| Topological Polar Surface Area | 72.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.09602 |
| Heavy Atoms | 17 |
| Complexity | 521.52264 |
Chemical Identifiers
| CAS Number | 91089-21-3 |
|---|---|
| SMILES | CN1C=NC(=C1NCC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)- (CAS 91089-21-3), with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol. IUPAC: N-benzyl-3-methyl-5-nitroimidazol-4-amine.
Chemical Property Profile of 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)-
Property Insights of 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)-
The XLogP value of 1.9404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)-. The TPSA of 72.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)-. Following Lipinski's Rule of Five, 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)- 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 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)-?
The CAS number of 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)- is 91089-21-3.
What is the molecular formula of 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)-?
The molecular formula of 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)- is C11H12N4O2.
What is the molecular weight of 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)-?
The molecular weight of 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)- is 232.10 g/mol.
Where can I buy 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)-?
You can request a quote for 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.