Basic information
- Standard SMILES
CCCC(O)(CCC)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl- InChIKey
NYGWURJFGPUSRY-UHFFFAOYSA-N- Molecular formula
- C23H26Cl3N3O
- Average molar mass
- 466.8 g/mol
Names & identifiers
- Preferred name
- 4-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]heptan-4-ol
- IUPAC
- 4-[9-chloro-1-(2,4-dichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]heptan-4-ol
Names & synonyms
SCHEMBL3759143NYGWURJFGPUSRY-UHFFFAOYSA-N4-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]heptan-4-ol
Database identifiers
- PubChem CID
- 57786137
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 576
Related reactions
2 records
Compound notes
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