(2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile
TL;DR: (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile (CAS 142888-29-7) is a chemical compound with molecular formula C18H15N3 and molecular weight 273.1266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile
Also Known As: AB01321095-02, (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(p-tolyl)but-2-enenitrile, (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-(4-METHYLPHENYL)BUT-2-ENENITRILE
Technical Specifications
| Molecular Formula | C18H15N3 |
| Molecular Weight | 273.1266 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.1266 Da |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
| SMILES | CC1=CC=C(C=C1)/C(=C(\C#N)/C2=NC3=CC=CC=C3N2)/C |
| InChIKey | IAIQQRMHZSJSHC-FYWRMAATSA-N |
Chemical Property Profile of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile
Property Insights of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile
The XLogP value of 4.3 indicates that (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-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
What is the CAS number of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile?
The CAS number of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile is 142888-29-7.
What is the molecular formula of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile?
The molecular formula of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile is C18H15N3.
What is the molecular weight of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile?
The molecular weight of (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile is 273.1266 g/mol.
Where can I buy (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile?
You can request a quote for (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for (2E)-2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)but-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.