Basic information
- Standard SMILES
CNC(=O)c1cccc2nc([C@H](C)Nc3ncnc(N)c3C#N)n(C3CC3)c12- InChIKey
GOIGPIQFKIVBFM-JTQLQIEISA-N- Molecular formula
- C19H20N8O
- Average molar mass
- 376.4 g/mol
Names & identifiers
- Preferred name
- 2-((1S)-1-((6-amino-5-cyano-4-pyrimidinyl)amino)ethyl)-1-cyclopropyl-N-methyl-1H-benzimidazole-7-carboxamide
- IUPAC
- 2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
Names & synonyms
SCHEMBL2503185GOIGPIQFKIVBFM-JTQLQIEISA-N2-((1S)-1-((6-amino-5-cyano-4-pyrimidinyl)amino)ethyl)-1-cyclopropyl-N-methyl-1H-benzimidazole-7-carboxamide
Database identifiers
- PubChem CID
- 53482871
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 631
Related reactions
1 records
Compound notes
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