Basic information
- Standard SMILES
Cn1c(-c2ccncn2)nc2c(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)ncnc21- InChIKey
LEXFVOASULJBBX-UHFFFAOYSA-N- Molecular formula
- C22H21N9O
- Average molar mass
- 427.5 g/mol
Names & identifiers
- Preferred name
- 1-[1-(9-Methyl-8-pyrimidin-4-yl-9H-purin-6-yl)piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one
- IUPAC
- 3-[1-(9-methyl-8-pyrimidin-4-ylpurin-6-yl)piperidin-4-yl]-1H-benzimidazol-2-one
Names & synonyms
SCHEMBL793769LEXFVOASULJBBX-UHFFFAOYSA-N1-[1-(9-Methyl-8-pyrimidin-4-yl-9H-purin-6-yl)piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one
Database identifiers
- PubChem CID
- 66801975
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 686
Related reactions
1 records
Compound notes
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