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Basic information
- Standard SMILES
CCc1nc(C)c(N2CCCn3c2nc2c(Cl)ccc(C(OC(F)F)C(F)(F)F)c23)c(C)n1- InChIKey
BVFHZVLYHNWSJG-UHFFFAOYSA-N- Molecular formula
- C21H21ClF5N5O
- Average molar mass
- 489.9 g/mol
- Monoisotopic mass
- 489.1354788
Names & identifiers
- Preferred name
- 9-Chloro-6-[1-(difluoromethoxy)-2,2,2-trifluoroethyl]-1-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
- IUPAC
- 9-chloro-6-[1-(difluoromethoxy)-2,2,2-trifluoroethyl]-1-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Names & synonyms
CHEMBL42250399-Chloro-6-[1-(difluoromethoxy)-2,2,2-trifluoroethyl]-1-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazoleSCHEMBL3752827BDBM50460178
Database identifiers
- PubChem CID
- 57785808
- ChEMBL
CHEMBL4225039
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 663
Related reactions
2 records
Compound notes
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