5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C12H11F3N2O2 — CID 3054228

IUPAC5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C12H11F3N2O2/c1-11(2)9(18)17(10(19)16-11)8-5-3-7(4-6-8)12(13,14)15/h3-6H,1-2H3,(H,16,19)
InChIKeyTUNLSLFBJPZFNN-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.54
Rot. Bonds1

About 5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 3054228) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID3054228
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C12H11F3N2O2/c1-11(2)9(18)17(10(19)16-11)8-5-3-7(4-6-8)12(13,14)15/h3-6H,1-2H3,(H,16,19)
InChIKeyTUNLSLFBJPZFNN-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

Nilutamide
CID 4493
4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrile
CID 11162285
4-(4,4-Dimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-trifluoromethylbenzonitrile
CID 22116941
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]acetamide
CID 2966964
2-(2,5-dioxoimidazolidin-1-yl)-N-(p-tolyl)acetamide
CID 2162395
5-(4-Dimethylamino-benzylidene)-imidazolidine-2,4-dione
CID 745258
Hydantoin, 3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-
CID 3022015
5,5-Dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-3-tolyl)hydantoin
CID 129851
3-(4-Chloro-3-(trifluoromethyl)phenyl)-5,5-dimethyl-2,4-imidazolidinedione
CID 3054078
Hydantoin, 5,5-dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-
CID 3054079
N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 2086380
N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)-4-imidazolidinyl]-3-methylbutanamide
CID 2967472

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 3054228) is 5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is TUNLSLFBJPZFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-11(2)9(18)17(10(19)16-11)8-5-3-7(4-6-8)12(13,14)15/h3-6H,1-2H3,(H,16,19).
What are the key properties of 5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 272.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 3054228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).