2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one

C18H20F4N2O2 — CID 57164660

IUPAC2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one
SMILESCC(C)C(O)C(CCc1ccc(F)cc1C(F)(F)F)C(=O)n1ccnc1
InChIInChI=1S/C18H20F4N2O2/c1-11(2)16(25)14(17(26)24-8-7-23-10-24)6-4-12-3-5-13(19)9-15(12)18(20,21)22/h3,5,7-11,14,16,25H,4,6H2,1-2H3
InChIKeyZYUXGOAUISALPA-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.95
Rot. Bonds6

About 2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one

2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one (PubChem CID 57164660) has the molecular formula C18H20F4N2O2 and a molecular weight of 372.36 g/mol. Its IUPAC name is 2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one.

Molecular Properties

Compound Name2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one
PubChem CID57164660
Molecular FormulaC18H20F4N2O2
Molecular Weight372.36 g/mol
Exact Mass372.15
IUPAC Name2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one
SMILESCC(C)C(O)C(CCc1ccc(F)cc1C(F)(F)F)C(=O)n1ccnc1
InChIInChI=1S/C18H20F4N2O2/c1-11(2)16(25)14(17(26)24-8-7-23-10-24)6-4-12-3-5-13(19)9-15(12)18(20,21)22/h3,5,7-11,14,16,25H,4,6H2,1-2H3
InChIKeyZYUXGOAUISALPA-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one?
The IUPAC name of 2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one (CID 57164660) is 2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one.
What is the SMILES notation for 2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one?
The canonical SMILES for 2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one is CC(C)C(O)C(CCc1ccc(F)cc1C(F)(F)F)C(=O)n1ccnc1.
What is the InChIKey of 2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one?
The InChIKey is ZYUXGOAUISALPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N2O2/c1-11(2)16(25)14(17(26)24-8-7-23-10-24)6-4-12-3-5-13(19)9-15(12)18(20,21)22/h3,5,7-11,14,16,25H,4,6H2,1-2H3.
What are the key properties of 2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one?
2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one has a molecular weight of 372.36 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one is sourced from PubChem (CID 57164660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).