1-Oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile
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Basic information
- Standard SMILES
N#Cc1c(-c2ccccc2)c(=CNc2cccc(C(F)(F)F)c2)c(=O)n2c1nc1ccccc12- InChIKey
XTWOOGKDUJGVCH-UHFFFAOYSA-N- Molecular formula
- C26H15F3N4O
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 456.1197956
Names & identifiers
- Preferred name
- 1-Oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 1-oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile
Database identifiers
- PubChem CID
- 395418
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 911
Related reactions
0 records
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Compound notes
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