Basic information
- Standard SMILES
CCCC(OC)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl- InChIKey
XHJSVENWKUHCFS-UHFFFAOYSA-N- Molecular formula
- C21H22Cl3N3O
- Average molar mass
- 438.8 g/mol
Names & identifiers
- Preferred name
- 9-Chloro-1-(2,4-dichlorophenyl)-6-(1-methoxybutyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
- IUPAC
- 9-chloro-1-(2,4-dichlorophenyl)-6-(1-methoxybutyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Names & synonyms
SCHEMBL3764505XHJSVENWKUHCFS-UHFFFAOYSA-N9-Chloro-1-(2,4-dichlorophenyl)-6-(1-methoxybutyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
Database identifiers
- PubChem CID
- 57786232
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 527
Related reactions
2 records
Compound notes
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