Basic information
- CAS
2102400-70-2- Standard SMILES
COc1cc(OCc2ncc(C(F)(F)F)cc2F)ccc1-c1nc(-c2ccc(F)nc2)[nH]c1Cl- InChIKey
CVQNSIXFHHPNKP-UHFFFAOYSA-N- Molecular formula
- C22H14ClF5N4O2
- Average molar mass
- 496.8 g/mol
- Monoisotopic mass
- 496.0725442
Names & identifiers
- Preferred name
- 2-[[4-[5-Chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine
- IUPAC
- 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine
Names & synonyms
SCHEMBL19052962SCHEMBL20554415SCHEMBL30536741CVQNSIXFHHPNKP-UHFFFAOYSA-N466V2ML9A32-[[4-[5-Chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine2-[[4-[5-chloro-2-(6-fluoropyridin-3-yl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine2102400-70-2Pyridine, 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)-
Database identifiers
- CAS
2102400-70-2- PubChem CID
- 129304580
- UNII
- 466V2ML9A3
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 665
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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