1-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]propan-1-one
Basic information
- Standard SMILES
CCC(=O)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl- InChIKey
HKLRBZMRJJZMRF-UHFFFAOYSA-N- Molecular formula
- C19H16Cl3N3O
- Average molar mass
- 408.7 g/mol
- Monoisotopic mass
- 407.035895
Names & identifiers
- Preferred name
- 1-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]propan-1-one
- IUPAC
- 1-[9-chloro-1-(2,4-dichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]propan-1-one
Names & synonyms
CHEMBL4224989SCHEMBL3746103HKLRBZMRJJZMRF-UHFFFAOYSA-NBDBM504601841-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]propan-1-one
Database identifiers
- PubChem CID
- 57786300
- ChEMBL
CHEMBL4224989
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 536
Related reactions
4 records
Compound notes
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