1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one

C16H11F3N2O — CID 16719924

IUPAC1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one
SMILESO=c1n(-c2ccccc2)ccn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)12-6-8-14(9-7-12)21-11-10-20(15(21)22)13-4-2-1-3-5-13/h1-11H
InChIKeyZWJKFPJBKKDECK-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.65
Rot. Bonds2

About 1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one

1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one (PubChem CID 16719924) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one
PubChem CID16719924
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one
SMILESO=c1n(-c2ccccc2)ccn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)12-6-8-14(9-7-12)21-11-10-20(15(21)22)13-4-2-1-3-5-13/h1-11H
InChIKeyZWJKFPJBKKDECK-UHFFFAOYSA-N
XLogP3.65
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one
CID 102264524
3-methyl-1-phenylpyrimidine-2,4-dione
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5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 58016522
1-oxo-2-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxylic acid
CID 14891662
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 140722626
4-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CID 63951618
4-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dione
CID 12904385
5-phenyl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 102360830
ethane;bis(trifluoromethylbenzene)
CID 142912000
1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one
CID 13020007

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one?
The IUPAC name of 1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one (CID 16719924) is 1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one.
What is the SMILES notation for 1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one?
The canonical SMILES for 1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one is O=c1n(-c2ccccc2)ccn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one?
The InChIKey is ZWJKFPJBKKDECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)12-6-8-14(9-7-12)21-11-10-20(15(21)22)13-4-2-1-3-5-13/h1-11H.
What are the key properties of 1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one?
1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one has a molecular weight of 304.27 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one is sourced from PubChem (CID 16719924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).