1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)-
TL;DR: 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)- (CAS 99686-99-4) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-methyl-4-nitroimidazole
Also Known As: 1-benzyl-5-methyl-4-nitroimidazole, 1-benzyl-5-methyl-4-nitro-1H-imidazole, 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)-, 5-Methyl-4-nitro-1-(phenylmethyl)-1H-imidazole, 1-Benzyl-4-nitro-5-methyl-1H-imidazole
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 99686-99-4 |
|---|---|
| SMILES | CC1=C(N=CN1CC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | IVOFFUJFQWPQKN-UHFFFAOYSA-N |
Product Overview
1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)- (CAS 99686-99-4), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 1-benzyl-5-methyl-4-nitroimidazole.
Chemical Property Profile of 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)-
Property Insights of 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)-. Following Lipinski's Rule of Five, 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)- 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-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)-?
The CAS number of 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)- is 99686-99-4.
What is the molecular formula of 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)-?
The molecular formula of 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)- is C11H11N3O2.
What is the molecular weight of 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)-?
The molecular weight of 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)- is 217.09 g/mol.
Where can I buy 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)-?
You can request a quote for 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 5-methyl-4-nitro-1-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.