5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione

C11H9F3N2O2 — CID 79801017

IUPAC5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C11H9F3N2O2/c1-10(11(12,13)14)8(17)16(9(18)15-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,15,18)
InChIKeyQADAXKVQLGZGDK-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.06
Rot. Bonds1

About 5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione

5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 79801017) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID79801017
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C11H9F3N2O2/c1-10(11(12,13)14)8(17)16(9(18)15-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,15,18)
InChIKeyQADAXKVQLGZGDK-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.06
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-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 79801017) is 5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CC1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is QADAXKVQLGZGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-10(11(12,13)14)8(17)16(9(18)15-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,15,18).
What are the key properties of 5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 258.20 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 79801017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).