1-(4-nitrophenethyl)-1H-imidazole
TL;DR: 1-(4-nitrophenethyl)-1H-imidazole (CAS 56643-91-5) 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-[2-(4-nitrophenyl)ethyl]imidazole
Also Known As: 1-(4-nitrophenethyl)-1H-imidazole, 1-[2-(4-nitrophenyl)ethyl]imidazole, 1-[2-(4-nitrophenyl)ethyl]-1H-imidazole, N-[2-(4'-Nitrophenyl)ethyl]-imidazole, 1H-Imidazole, 1-[2-(4-nitrophenyl)ethyl]-
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 2.034 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 462.4847 |
Chemical Identifiers
| CAS Number | 56643-91-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CCN2C=CN=C2)[N+](=O)[O-] |
Product Overview
1-(4-nitrophenethyl)-1H-imidazole (CAS 56643-91-5), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 1-[2-(4-nitrophenyl)ethyl]imidazole.
Chemical Property Profile of 1-(4-nitrophenethyl)-1H-imidazole
Property Insights of 1-(4-nitrophenethyl)-1H-imidazole
The XLogP value of 2.034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-nitrophenethyl)-1H-imidazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-nitrophenethyl)-1H-imidazole. Following Lipinski's Rule of Five, 1-(4-nitrophenethyl)-1H-imidazole 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 1-(4-nitrophenethyl)-1H-imidazole?
The CAS number of 1-(4-nitrophenethyl)-1H-imidazole is 56643-91-5.
What is the molecular formula of 1-(4-nitrophenethyl)-1H-imidazole?
The molecular formula of 1-(4-nitrophenethyl)-1H-imidazole is C11H11N3O2.
What is the molecular weight of 1-(4-nitrophenethyl)-1H-imidazole?
The molecular weight of 1-(4-nitrophenethyl)-1H-imidazole is 217.09 g/mol.
Where can I buy 1-(4-nitrophenethyl)-1H-imidazole?
You can request a quote for 1-(4-nitrophenethyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-nitrophenethyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-nitrophenethyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.