1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-
TL;DR: 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)- (CAS 131263-09-7) is a chemical compound with molecular formula C16H11N3O and molecular weight 261.0902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(1H-benzimidazol-2-yl)-3-(3-hydroxyphenyl)prop-2-enenitrile
Also Known As: BAS 01962959, 2-(1H-benzimidazol-2-yl)-3-(3-hydroxyphenyl)acrylonitrile, AB00090617-01, 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-, (E)-2-(1H-benzimidazol-2-yl)-3-(3-hydroxyphenyl)prop-2-enenitrile
Technical Specifications
| Molecular Formula | C16H11N3O |
| Molecular Weight | 261.0902 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 72.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0902 Da |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC(=CC=C3)O)/C#N |
| InChIKey | BLFUYBIEEJPBKL-XYOKQWHBSA-N |
Chemical Property Profile of 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-
Property Insights of 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-. Following Lipinski's Rule of Five, 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-?
The CAS number of 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)- is 131263-09-7.
What is the molecular formula of 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-?
The molecular formula of 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)- is C16H11N3O.
What is the molecular weight of 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-?
The molecular weight of 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)- is 261.0902 g/mol.
Where can I buy 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-?
You can request a quote for 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-?
Yes, CoreyChem provides custom synthesis services for 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.