7,8-dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)phenyl]diazenyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
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Basic information
- Standard SMILES
Cc1cc2[nH]c3c(C#N)c(-c4ccccc4)c(N=Nc4cccc(C(F)(F)F)c4)c(=O)n3c2cc1C- InChIKey
QQASDVVPWXMREH-UHFFFAOYSA-N- Molecular formula
- C27H18F3N5O
- Average molar mass
- 485.5 g/mol
- Monoisotopic mass
- 485.1463447
Names & identifiers
- Preferred name
- 7,8-dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)phenyl]diazenyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 7,8-dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)phenyl]diazenyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Names & synonyms
NSC699959CHEMBL1981765NSC-699959NCI60_035852
Database identifiers
- PubChem CID
- 395423
- ChEMBL
CHEMBL1981765
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
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Compound notes
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