![4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide structure](/static/products/4000/400085-72-5.webp)
4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide
TL;DR: 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide (CAS 400085-72-5) is a chemical compound with molecular formula C17H14ClN3O and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
Also Known As: 4-chloro-N-[(2-imidazol-1-ylphenyl)methyl]benzamide, 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide, 7B-010, 4-chloro-N-{[2-(1H-imidazol-1-yl)phenyl]methyl}benzamide
| Molecular Formula | C17H14ClN3O |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 3.4557 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.08255 |
| Heavy Atoms | 22 |
| Complexity | 766.86285 |
Chemical Identifiers
| CAS Number | 400085-72-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC(=O)C2=CC=C(C=C2)Cl)N3C=CN=C3 |
Product Overview
4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide (CAS 400085-72-5), with molecular formula C17H14ClN3O and molecular weight 311.08 g/mol. IUPAC: 4-chloro-N-[(2-imidazol-1-ylphenyl)methyl]benzamide.
Chemical Property Profile of 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide
Property Insights of 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide
The XLogP value of 3.4557 indicates that 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide has 1 hydrogen bond donor(s) and 2 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 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide?
The CAS number of 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide is 400085-72-5.
What is the molecular formula of 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide?
The molecular formula of 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide is C17H14ClN3O.
What is the molecular weight of 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide?
The molecular weight of 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide is 311.08 g/mol.
Where can I buy 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide?
You can request a quote for 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[2-(1H-imidazol-1-yl)benzyl]benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.