alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile
TL;DR: alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile (CAS 79613-17-5) is a chemical compound with molecular formula C16H11N3 and molecular weight 245.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile
Also Known As: alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile, CDS1_000826, J2.792.116G, 1H-Benzimidazole-2-acetonitrile, alpha-(phenylmethylene)-, 2-(1H-benzimidazol-2-yl)-3-phenylacrylonitrile
| Molecular Formula | C16H11N3 |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | 3.62708 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.09529 |
| Heavy Atoms | 19 |
| Complexity | 743.3642 |
Chemical Identifiers
| CAS Number | 79613-17-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2 |
Product Overview
alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile (CAS 79613-17-5), with molecular formula C16H11N3 and molecular weight 245.10 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile.
Chemical Property Profile of alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile
Property Insights of alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile
The XLogP value of 3.62708 indicates that alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile 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 alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile?
The CAS number of alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile is 79613-17-5.
What is the molecular formula of alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile?
The molecular formula of alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile is C16H11N3.
What is the molecular weight of alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile?
The molecular weight of alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile is 245.10 g/mol.
Where can I buy alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile?
You can request a quote for alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.