3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
TL;DR: 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile (CAS 5325-13-3) is a chemical compound with molecular formula C17H12IN3 and molecular weight 385.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Also Known As: 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile, 3-(4-Iodophenyl)-2-(6-methyl-1H-1,3-benzimidazol-2-yl)prop-2-enenitrile, 3-(4-iodophenyl)-2-(6-methyl-1H-benzoimidazol-2-yl)prop-2-enenitrile
| Molecular Formula | C17H12IN3 |
|---|---|
| Molecular Weight | 385.01 g/mol |
| LogP | 4.5401 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.0076 |
| Heavy Atoms | 21 |
| Complexity | 867.18176 |
Chemical Identifiers
| CAS Number | 5325-13-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(C=C3)I)C#N |
Product Overview
3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile (CAS 5325-13-3), with molecular formula C17H12IN3 and molecular weight 385.01 g/mol. IUPAC: 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Property Insights of 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
The XLogP value of 4.5401 indicates that 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile 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 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
The CAS number of 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile is 5325-13-3.
What is the molecular formula of 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
The molecular formula of 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile is C17H12IN3.
What is the molecular weight of 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
The molecular weight of 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile is 385.01 g/mol.
Where can I buy 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
You can request a quote for 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.