Basic information
- Standard SMILES
Cn1c(CCc2ccc(C#N)cc2)nc2cc(C(=O)NN3CCN(CC=Cc4ccccc4)CC3)ccc21- InChIKey
GYACSDHQXWXTDF-UHFFFAOYSA-N- Molecular formula
- C31H32N6O
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.26375967
Names & identifiers
- Preferred name
- 2-[2-(4-Cyanophenyl)-ethyl]-1-methyl-benzimidazole-5-yl-carboxylic acid-[4-(3-phenyl-allyl)-piperazinyl]-amide
- IUPAC
- 2-[2-(4-cyanophenyl)ethyl]-1-methyl-N-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzimidazole-5-carboxamide
Names & synonyms
SCHEMBL6475825GYACSDHQXWXTDF-UHFFFAOYSA-N2-[2-(4-cyanophenyl)-ethyl]-1-methyl-benzimidazole-5-yl-carboxylic acid-[4-(3-phenyl-allyl)-piperazinyl]-amide
Database identifiers
- PubChem CID
- 69793499
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 831
Related reactions
1 records
Compound notes
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