(5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one

C17H12F4N2O2 — CID 7623321

IUPAC(5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one
SMILESO=C1N(Cc2ccc(F)cc2)C(c2ccccc2)=N[C@@]1(O)C(F)(F)F
InChIInChI=1S/C17H12F4N2O2/c18-13-8-6-11(7-9-13)10-23-14(12-4-2-1-3-5-12)22-16(25,15(23)24)17(19,20)21/h1-9,25H,10H2/t16-/m0/s1
InChIKeyQCRLSCHZXUNJDR-INIZCTEOSA-N
MW352.29 g/mol
LogP2.87
Rot. Bonds3

About (5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one

(5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one (PubChem CID 7623321) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is (5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one.

Molecular Properties

Compound Name(5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one
PubChem CID7623321
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC Name(5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one
SMILESO=C1N(Cc2ccc(F)cc2)C(c2ccccc2)=N[C@@]1(O)C(F)(F)F
InChIInChI=1S/C17H12F4N2O2/c18-13-8-6-11(7-9-13)10-23-14(12-4-2-1-3-5-12)22-16(25,15(23)24)17(19,20)21/h1-9,25H,10H2/t16-/m0/s1
InChIKeyQCRLSCHZXUNJDR-INIZCTEOSA-N
XLogP2.87
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(4S)-1-[(4-fluorophenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
CID 29021418
1-benzyl-2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344391
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344368
3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one
CID 17344461
(5S)-3-benzyl-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 29072701
(5R)-3-benzyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 51971376
4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796
N-[5-oxo-2-phenyl-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazol-4-yl]acetamide
CID 4909296
1-benzyl-2-phenyl-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344561
3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344473
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618
3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one
CID 1047059

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The IUPAC name of (5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one (CID 7623321) is (5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one.
What is the SMILES notation for (5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The canonical SMILES for (5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one is O=C1N(Cc2ccc(F)cc2)C(c2ccccc2)=N[C@@]1(O)C(F)(F)F.
What is the InChIKey of (5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The InChIKey is QCRLSCHZXUNJDR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c18-13-8-6-11(7-9-13)10-23-14(12-4-2-1-3-5-12)22-16(25,15(23)24)17(19,20)21/h1-9,25H,10H2/t16-/m0/s1.
What are the key properties of (5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
(5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one has a molecular weight of 352.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one is sourced from PubChem (CID 7623321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).