Basic information
- Standard SMILES
CC(Nc1nccc(-n2cnc3ccccc32)n1)c1cccc(C(=O)NCc2ccccc2)c1- InChIKey
REPQTFATEFYSAR-UHFFFAOYSA-N- Molecular formula
- C27H24N6O
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.20115941
Names & identifiers
- Preferred name
- 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-N-benzylbenzamide
- IUPAC
- 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-N-benzylbenzamide
Database identifiers
- PubChem CID
- 18375780
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 655
Related reactions
1 records
Compound notes
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