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Basic information
- Standard SMILES
OC(c1ccc(Cl)c2nc3n(c12)CCCN3c1c(Cl)cc(Cl)cc1Cl)C(F)(F)F- InChIKey
QSRORFGWCDCAKV-UHFFFAOYSA-N- Molecular formula
- C18H12Cl4F3N3O
- Average molar mass
- 485.1 g/mol
Names & identifiers
- Preferred name
- 1-[9-Chloro-1-(2,4,6-trichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]-2,2,2-trifluoroethanol
- IUPAC
- 1-[9-chloro-1-(2,4,6-trichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]-2,2,2-trifluoroethanol
Names & synonyms
1-[9-Chloro-1-(2,4,6-trichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]-2,2,2-trifluoroethanolSCHEMBL3755214
Database identifiers
- PubChem CID
- 57786178
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 591
Related reactions
4 records
Compound notes
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