1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-
Basic information
- CAS
131263-09-7- Standard SMILES
N#C/C(=C\c1cccc(O)c1)c1nc2ccccc2[nH]1- InChIKey
BLFUYBIEEJPBKL-XYOKQWHBSA-N- Molecular formula
- C16H11N3O
- Average molar mass
- 261.28 g/mol
- Monoisotopic mass
- 261.09021198
Names & identifiers
- Preferred name
- 1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-
- IUPAC
- (E)-2-(1H-benzimidazol-2-yl)-3-(3-hydroxyphenyl)prop-2-enenitrile
Names & synonyms
131263-09-72-(1H-benzimidazol-2-yl)-3-(3-hydroxyphenyl)acrylonitrile1H-Benzimidazol-2-acetonitrile, alpha-((3-hydroxyphenyl)methylene)-Cambridge id 5616409(E)-2-(1H-benzimidazol-2-yl)-3-(3-hydroxyphenyl)prop-2-enenitrileSTK106392AKOS000417103ST089808AB00090617-01Z44307304(2E)-2-benzimidazol-2-yl-3-(3-hydroxyphenyl)prop-2-enenitrile(2E)-2-(1H-benzimidazol-2-yl)-3-(3-hydroxyphenyl)prop-2-enenitrile
Show more names
1H-Benzimidazol-2-acetonitrile,.alpha.-([3-hydroxyphenyl]methylene)-
Database identifiers
- CAS
131263-09-7- PubChem CID
- 5335380
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 425
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Compound notes
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