2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile (CAS 51560-40-8) is a chemical compound with molecular formula C16H13N3 and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile
Also Known As: 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile, alpha-benzylbenzimidazoleacetonitrile, 2-(1H-1,3-benzodiazol-2-yl)-3-phenylpropanenitrile, J2.511.810C, 2-(1H-benzoimidazol-2-yl)-3-phenyl-propanenitrile
| Molecular Formula | C16H13N3 |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 3.41278 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.11095 |
| Heavy Atoms | 19 |
| Complexity | 689.3388 |
Chemical Identifiers
| CAS Number | 51560-40-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C#N)C2=NC3=CC=CC=C3N2 |
Product Overview
2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile (CAS 51560-40-8), with molecular formula C16H13N3 and molecular weight 247.11 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile
The XLogP value of 3.41278 indicates that 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile 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 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile is 51560-40-8.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile is C16H13N3.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile is 247.11 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-phenylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.