Basic information
- Standard SMILES
COc1nc(C)c(N2CCCn3c2nc2c(Cl)ccc(CC#N)c23)c(C)n1- InChIKey
UPYQVUMXNKBFRV-UHFFFAOYSA-N- Molecular formula
- C19H19ClN6O
- Average molar mass
- 382.8 g/mol
Names & identifiers
- Preferred name
- [9-Chloro-1-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]acetonitrile
- IUPAC
- 2-[9-chloro-1-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]acetonitrile
Names & synonyms
SCHEMBL3746056UPYQVUMXNKBFRV-UHFFFAOYSA-N[9-Chloro-1-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]acetonitrile
Database identifiers
- PubChem CID
- 57786008
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 572
Related reactions
4 records
Compound notes
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