2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile
TL;DR: 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile (CAS 57319-79-6) is a chemical compound with molecular formula C17H13N3 and molecular weight 259.11096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile
Also Known As: (2E)-2-(6-Methyl-1H-benzimidazol-2-yl)-3-phenylacrylonitrile, 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile
Technical Specifications
| Molecular Formula | C17H13N3 |
| Molecular Weight | 259.11096 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.11096 Da |
| Heavy Atoms | 20 |
| Complexity | 413.0 |
| SMILES | CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=CC=C3)C#N |
| InChIKey | NRCCRFCRDDVDSV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile
Property Insights of 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile
The XLogP value of 3.7 indicates that 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-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, 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-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 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile?
The CAS number of 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile is 57319-79-6.
What is the molecular formula of 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile?
The molecular formula of 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile is C17H13N3.
What is the molecular weight of 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile?
The molecular weight of 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile is 259.11096 g/mol.
Where can I buy 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile?
You can request a quote for 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(6-methyl-1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.