![2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile structure](/static/products/866/866157-65-5.png)
2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile
TL;DR: 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile (CAS 866157-65-5) is a chemical compound with molecular formula C18H15BrN4 and molecular weight 366.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-3-methylanilino)-2-(4-imidazol-1-ylphenyl)acetonitrile
Also Known As: 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile, 2-(4-bromo-3-methylanilino)-2-(4-imidazol-1-ylphenyl)acetonitrile, 2-[(4-bromo-3-methylphenyl)amino]-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile
| Molecular Formula | C18H15BrN4 |
|---|---|
| Molecular Weight | 366.05 g/mol |
| LogP | 4.62 |
| Topological Polar Surface Area | 53.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.048 |
| Heavy Atoms | 23 |
| Complexity | 832.4582 |
Chemical Identifiers
| CAS Number | 866157-65-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(C#N)C2=CC=C(C=C2)N3C=CN=C3)Br |
Product Overview
2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile (CAS 866157-65-5), with molecular formula C18H15BrN4 and molecular weight 366.05 g/mol. IUPAC: 2-(4-bromo-3-methylanilino)-2-(4-imidazol-1-ylphenyl)acetonitrile.
Chemical Property Profile of 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile
Property Insights of 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile
The XLogP value of 4.62 indicates that 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.64 Ų, 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile has 1 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 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile?
The CAS number of 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile is 866157-65-5.
What is the molecular formula of 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile?
The molecular formula of 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile is C18H15BrN4.
What is the molecular weight of 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile?
The molecular weight of 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile is 366.05 g/mol.
Where can I buy 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile?
You can request a quote for 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromo-3-methylanilino)-2-[4-(1H-imidazol-1-yl)phenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.