![N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline structure](/static/products/866/866157-67-7.png)
N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline
TL;DR: N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline (CAS 866157-67-7) is a chemical compound with molecular formula C17H17N3 and molecular weight 263.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylaniline
Also Known As: N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline, N-[(4-imidazol-1-ylphenyl)methyl]-3-methylaniline, N-{[4-(1H-imidazol-1-yl)phenyl]methyl}-3-methylaniline, N-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-aniline
| Molecular Formula | C17H17N3 |
|---|---|
| Molecular Weight | 263.14 g/mol |
| LogP | 3.79282 |
| Topological Polar Surface Area | 29.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.14224 |
| Heavy Atoms | 20 |
| Complexity | 669.71954 |
Chemical Identifiers
| CAS Number | 866157-67-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NCC2=CC=C(C=C2)N3C=CN=C3 |
Product Overview
N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline (CAS 866157-67-7), with molecular formula C17H17N3 and molecular weight 263.14 g/mol. IUPAC: N-[(4-imidazol-1-ylphenyl)methyl]-3-methylaniline.
Chemical Property Profile of N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline
Property Insights of N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline
The XLogP value of 3.79282 indicates that N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline 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-(1H-imidazol-1-yl)benzyl]-3-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline 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-(1H-imidazol-1-yl)benzyl]-3-methylaniline?
The CAS number of N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline is 866157-67-7.
What is the molecular formula of N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline?
The molecular formula of N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline is C17H17N3.
What is the molecular weight of N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline?
The molecular weight of N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline is 263.14 g/mol.
Where can I buy N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline?
You can request a quote for N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(1H-imidazol-1-yl)benzyl]-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.