2-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]-2-methylpropanal
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Basic information
- Standard SMILES
CC(C)(C=O)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl- InChIKey
PYAXWJSMNUIRLZ-UHFFFAOYSA-N- Molecular formula
- C20H18Cl3N3O
- Average molar mass
- 422.7 g/mol
- Monoisotopic mass
- 421.051545
Names & identifiers
- Preferred name
- 2-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]-2-methylpropanal
- IUPAC
- 2-[9-chloro-1-(2,4-dichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]-2-methylpropanal
Names & synonyms
SCHEMBL3753111PYAXWJSMNUIRLZ-UHFFFAOYSA-N2-[9-chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]-2-methylpropanal
Database identifiers
- PubChem CID
- 57786398
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 563
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Related reactions
2 records
Compound notes
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