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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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).