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

C13H13F3N2O2 — CID 79801162

IUPAC5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C13H13F3N2O2/c1-3-12(2)10(19)18(11(20)17-12)9-7-5-4-6-8(9)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,20)
InChIKeyDLQHWERYMABRBO-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.93
Rot. Bonds2

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

5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 79801162) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID79801162
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C13H13F3N2O2/c1-3-12(2)10(19)18(11(20)17-12)9-7-5-4-6-8(9)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,20)
InChIKeyDLQHWERYMABRBO-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.93
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-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 79801162) is 5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CCC1(C)NC(=O)N(c2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is DLQHWERYMABRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-3-12(2)10(19)18(11(20)17-12)9-7-5-4-6-8(9)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,20).
What are the key properties of 5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 286.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 79801162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).