3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile
TL;DR: 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile (CAS 145127-00-0) is a chemical compound with molecular formula C20H19N3 and molecular weight 301.1579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enenitrile
Also Known As: BAS 00442671, 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile, (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enenitrile, 3-(4-Isopropyl-phenyl)-2-(5-methyl-1H-benzoimidazol-2-yl)-acrylonitrile, (2E)-2-(5-methylbenzimidazol-2-yl)-3-[4-(methylethyl)phenyl]prop-2-enenitrile
Technical Specifications
| Molecular Formula | C20H19N3 |
| Molecular Weight | 301.1579 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.1579 Da |
| Heavy Atoms | 23 |
| Complexity | 478.0 |
| SMILES | CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=C(C=C3)C(C)C)/C#N |
| InChIKey | RPZDCPNFTHKQCG-GZTJUZNOSA-N |
Chemical Property Profile of 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile
Property Insights of 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile
The XLogP value of 4.8 indicates that 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile 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
What is the CAS number of 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
The CAS number of 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile is 145127-00-0.
What is the molecular formula of 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
The molecular formula of 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile is C20H19N3.
What is the molecular weight of 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
The molecular weight of 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile is 301.1579 g/mol.
Where can I buy 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
You can request a quote for 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(4-isopropylphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.