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Basic information
- Standard SMILES
CCCC(O)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl- InChIKey
ZFVDKMCGNIJUCG-UHFFFAOYSA-N- Molecular formula
- C20H20Cl3N3O
- Average molar mass
- 424.7 g/mol
Names & identifiers
- Preferred name
- 1-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]butan-1-ol
- IUPAC
- 1-[9-chloro-1-(2,4-dichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]butan-1-ol
Names & synonyms
SCHEMBL3750637ZFVDKMCGNIJUCG-UHFFFAOYSA-N1-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]butan-1-ol
Database identifiers
- PubChem CID
- 57786145
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 513
Related reactions
4 records
Compound notes
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