1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole
TL;DR: 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole (CAS 72079-76-6) is a chemical compound with molecular formula C18H15N3O2 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-nitro-5-(2-phenylethenyl)imidazole
Also Known As: 4-Nitro-5-(2-phenylethenyl)-1-(phenylmethyl)-1H-imidazole, 1H-Imidazole, 4-nitro-5-(2-phenylethenyl)-1-(phenylmethyl)-
| Molecular Formula | C18H15N3O2 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.11642 |
| Heavy Atoms | 23 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 72079-76-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC(=C2C=CC3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | KUCCTGPNTKYUOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole (CAS 72079-76-6), with molecular formula C18H15N3O2 and molecular weight 305.12 g/mol. IUPAC: 1-benzyl-4-nitro-5-(2-phenylethenyl)imidazole.
Chemical Property Profile of 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole
Property Insights of 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole
The XLogP value of 4.1 indicates that 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole. Following Lipinski's Rule of Five, 1-Benzyl-4-nitro-5-(2-phenylethenyl)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-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole?
The CAS number of 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole is 72079-76-6.
What is the molecular formula of 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole?
The molecular formula of 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole is C18H15N3O2.
What is the molecular weight of 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole?
The molecular weight of 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole is 305.12 g/mol.
Where can I buy 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole?
You can request a quote for 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-nitro-5-(2-phenylethenyl)imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.