9-Chloro-1-(6-methoxy-4-methylpyridin-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carbaldehyde
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Basic information
- Standard SMILES
COc1cc(C)c(N2CCCn3c2nc2c(Cl)ccc(C=O)c23)cn1- InChIKey
PAMGMPFADLLQMA-UHFFFAOYSA-N- Molecular formula
- C18H17ClN4O2
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 356.1040035
Names & identifiers
- Preferred name
- 9-Chloro-1-(6-methoxy-4-methylpyridin-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carbaldehyde
- IUPAC
- 9-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-6-carbaldehyde
Names & synonyms
SCHEMBL3752408PAMGMPFADLLQMA-UHFFFAOYSA-N9-Chloro-1-(6-methoxy-4-methylpyridin-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carbaldehyde
Database identifiers
- PubChem CID
- 57786222
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 496
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Related reactions
4 records
Compound notes
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