![N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline structure](/static/products/120/120107-99-5.png)
N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline
TL;DR: N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline (CAS 120107-99-5) is a chemical compound with molecular formula C17H16ClN3 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline
Also Known As: N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline, 3-((1H-imidazol-1-yl)methyl)-N-(4-chlorobenzyl)aniline, Benzenemethanamine, 4-chloro-N-[3-(1H-imidazol-1-ylmethyl)phenyl]-
| Molecular Formula | C17H16ClN3 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 4.1969 |
| Topological Polar Surface Area | 29.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.10327 |
| Heavy Atoms | 21 |
| Complexity | 690.3192 |
Chemical Identifiers
| CAS Number | 120107-99-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NCC2=CC=C(C=C2)Cl)CN3C=CN=C3 |
Product Overview
N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline (CAS 120107-99-5), with molecular formula C17H16ClN3 and molecular weight 297.10 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline.
Chemical Property Profile of N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline
Property Insights of N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline
The XLogP value of 4.1969 indicates that N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.85 Ų, N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline 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 N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline?
The CAS number of N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline is 120107-99-5.
What is the molecular formula of N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline?
The molecular formula of N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline is C17H16ClN3.
What is the molecular weight of N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline?
The molecular weight of N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline is 297.10 g/mol.
Where can I buy N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline?
You can request a quote for N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.