Basic information
- Standard SMILES
Cc1cnc(CN(CCCCNC(=O)c2cccc3[nH]cnc23)Cc2nccc3ccccc23)c(C)c1- InChIKey
DVBJDGDENOVJQZ-UHFFFAOYSA-N- Molecular formula
- C30H32N6O
- Average molar mass
- 492.6 g/mol
Names & identifiers
- Preferred name
- 1H-benzimidazole-4-carboxylic acid-{4-[(3,5-dimethyl-pyridin-2-ylmethyl)-isoquinolin-1-ylmethyl-amino]-butyl}-amide
- IUPAC
- N-[4-[(3,5-dimethyl-2-pyridinyl)methyl-(isoquinolin-1-ylmethyl)amino]butyl]-1H-benzimidazole-4-carboxamide
Names & synonyms
SCHEMBL2084357DVBJDGDENOVJQZ-UHFFFAOYSA-N1H-benzimidazole-4-carboxylic acid-{4-[(3,5-dimethyl-pyridin-2-ylmethyl)-isoquinolin-1-ylmethyl-amino]-butyl}-amide
Database identifiers
- PubChem CID
- 58996944
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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