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Basic information
- Standard SMILES
CC(=O)OC(c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl)C(F)(F)F- InChIKey
QYTPWPKLVARFNT-UHFFFAOYSA-N- Molecular formula
- C20H15Cl3F3N3O2
- Average molar mass
- 492.7 g/mol
Names & identifiers
- Preferred name
- 1-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]-2,2,2-trifluoroethyl acetate
- IUPAC
- [1-[9-chloro-1-(2,4-dichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]-2,2,2-trifluoroethyl] acetate
Names & synonyms
1-[9-Chloro-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]-2,2,2-trifluoroethyl acetateSCHEMBL3748151
Database identifiers
- PubChem CID
- 57786294
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 673
Related reactions
2 records
Compound notes
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