Basic information
- Standard SMILES
COc1nc(C)nc(OC)c1N1CCCn2c1nc1c(Cl)ccc(C=O)c12- InChIKey
OAMDCFXIVAKFRS-UHFFFAOYSA-N- Molecular formula
- C18H18ClN5O3
- Average molar mass
- 387.8 g/mol
Names & identifiers
- Preferred name
- 9-Chloro-1-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carbaldehyde
- IUPAC
- 9-chloro-1-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-6-carbaldehyde
Names & synonyms
SCHEMBL3752674OAMDCFXIVAKFRS-UHFFFAOYSA-N9-Chloro-1-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carbaldehyde
Database identifiers
- PubChem CID
- 57786374
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 529
Related reactions
4 records
Compound notes
Loading…