Basic information
- Standard SMILES
COC(=O)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(OC)nc1C(F)(F)F- InChIKey
IDTSNXHLMKRRKW-UHFFFAOYSA-N- Molecular formula
- C19H16ClF3N4O3
- Average molar mass
- 440.8 g/mol
- Monoisotopic mass
- 440.0863026
Names & identifiers
- Preferred name
- Methyl 9-chloro-1-[6-methoxy-2-(trifluoromethyl)pyridin-3-yl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carboxylate
- IUPAC
- methyl 9-chloro-1-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-6-carboxylate
Names & synonyms
Methyl 9-chloro-1-[6-methoxy-2-(trifluoromethyl)pyridin-3-yl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carboxylateSCHEMBL3751150
Database identifiers
- PubChem CID
- 57786121
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 643
Related reactions
4 records
Compound notes
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