[(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate

C12H9F3N2O3 — CID 7332753

IUPAC[(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate
SMILESCC(=O)O[C@@]1(C(F)(F)F)N=C(c2ccccc2)NC1=O
InChIInChI=1S/C12H9F3N2O3/c1-7(18)20-11(12(13,14)15)10(19)16-9(17-11)8-5-3-2-4-6-8/h2-6H,1H3,(H,16,17,19)/t11-/m0/s1
InChIKeyNCSKIFVNMVMPHP-NSHDSACASA-N
MW286.21 g/mol
LogP1.38
Rot. Bonds2

About [(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate

[(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate (PubChem CID 7332753) has the molecular formula C12H9F3N2O3 and a molecular weight of 286.21 g/mol. Its IUPAC name is [(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate.

Molecular Properties

Compound Name[(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate
PubChem CID7332753
Molecular FormulaC12H9F3N2O3
Molecular Weight286.21 g/mol
Exact Mass286.06
IUPAC Name[(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate
SMILESCC(=O)O[C@@]1(C(F)(F)F)N=C(c2ccccc2)NC1=O
InChIInChI=1S/C12H9F3N2O3/c1-7(18)20-11(12(13,14)15)10(19)16-9(17-11)8-5-3-2-4-6-8/h2-6H,1H3,(H,16,17,19)/t11-/m0/s1
InChIKeyNCSKIFVNMVMPHP-NSHDSACASA-N
XLogP1.38
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-yl] acetate
CID 102408774
3-cyclohexyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]propanamide
CID 4257394
methyl 2-[[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 2962161
4-[(5-chloro-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
CID 2962129
4-chloro-2,6-diphenyl-1H-1,3,5-triazine-4-carboxylic acid
CID 174807962
8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 59165790
(3-oxo-2,4,5-triphenylfuran-2-yl) acetate
CID 25194923
N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide
CID 98310542
(2-oxo-3-phenyl-1H-indol-3-yl) acetate
CID 132917487
1,1-difluoro-1-(4-phenylphenyl)propan-2-one
CID 71022279
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083

Frequently Asked Questions

What is the IUPAC name of [(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate?
The IUPAC name of [(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate (CID 7332753) is [(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate.
What is the SMILES notation for [(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate?
The canonical SMILES for [(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate is CC(=O)O[C@@]1(C(F)(F)F)N=C(c2ccccc2)NC1=O.
What is the InChIKey of [(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate?
The InChIKey is NCSKIFVNMVMPHP-NSHDSACASA-N. The full InChI is InChI=1S/C12H9F3N2O3/c1-7(18)20-11(12(13,14)15)10(19)16-9(17-11)8-5-3-2-4-6-8/h2-6H,1H3,(H,16,17,19)/t11-/m0/s1.
What are the key properties of [(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate?
[(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate has a molecular weight of 286.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl] acetate is sourced from PubChem (CID 7332753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).