Basic information
- Standard SMILES
CC(Nc1nccc(-n2cnc3ccccc32)n1)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1- InChIKey
GUWBCVYQXCPPDZ-UHFFFAOYSA-N- Molecular formula
- C26H21ClN6O
- Average molar mass
- 468.9 g/mol
Names & identifiers
- Preferred name
- 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-N-(4-chlorophenyl)benzamide
- IUPAC
- 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-N-(4-chlorophenyl)benzamide
Database identifiers
- PubChem CID
- 18375658
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 674
Related reactions
1 records
Compound notes
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