Basic information
- CAS
33469-37-3- Standard SMILES
COc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1- InChIKey
XWALBVFWCNKGRZ-UHFFFAOYSA-N- Molecular formula
- C11H9F3N2O
- Average molar mass
- 242.2 g/mol
- Monoisotopic mass
- 242.0666974
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-imidazole
- IUPAC
- 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazole
- English name
- 1H-IMidazole, 2-(4-Methoxyphenyl)-5-(trifluoroMethyl)-
- Molecular formula
- C11H9F3N2O
- Molecular weight
- 242.2
Names & synonyms
33469-37-32-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazoleRefChem:2525482-(4-Methoxyphenyl)-4-(trifluoromethyl)-1H-imidazole1H-Imidazole, 2-(4-methoxyphenyl)-5-(trifluoromethyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-imidazoleImidazole, 2-[4-methoxyphenyl]-4-trifluoromethyl-SCHEMBL7473415SCHEMBL23847030DTXSID801220899GS4032AKOS015905617
Show more names
AKOS025399383DB-0688332-(p-methoxyphenyl)-4-(trifluoromethyl)-imidazoleA1-350592-(4-methoxyphenyl)-4-(trifluormethyl)-1H-imidazol2-(4-Methoxyphenyl)-4-(trifluoromethyl)-1H-imidazole #
Database identifiers
- CAS
33469-37-3- PubChem CID
- 618026
- DTXSID
DTXSID801220899
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 201 · 201-203 °C
- Boiling point
- 372.6 · 372.6±42.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 10.96 · 10.96±0.10(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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