Basic information
- Standard SMILES
CN1C(=O)C(c2ccc(OC(F)(F)F)c(F)c2)(c2ccc(F)c(-c3cncnc3)c2)N=C1N- InChIKey
IKIQNJANXVRUQQ-UHFFFAOYSA-N- Molecular formula
- C21H14F5N5O2
- Average molar mass
- 463.4 g/mol
- Monoisotopic mass
- 463.10676552
Names & identifiers
- Preferred name
- 2-Amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methyl-3,5-dihydro-imidazol-4-one
- IUPAC
- 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one
Names & synonyms
2-Amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methyl-3,5-dihydro-imidazol-4-oneSCHEMBL3535575
Database identifiers
- PubChem CID
- 57531327
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 762
Related reactions
2 records
Compound notes
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