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

C12H15F3N2O3 — CID 79570187

IUPAC5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(CCC2CCCC2=O)C1=O
InChIInChI=1S/C12H15F3N2O3/c1-11(12(13,14)15)9(19)17(10(20)16-11)6-5-7-3-2-4-8(7)18/h7H,2-6H2,1H3,(H,16,20)
InChIKeyMJPUWBHOSGMAIE-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.62
Rot. Bonds3

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

5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 79570187) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID79570187
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(CCC2CCCC2=O)C1=O
InChIInChI=1S/C12H15F3N2O3/c1-11(12(13,14)15)9(19)17(10(20)16-11)6-5-7-3-2-4-8(7)18/h7H,2-6H2,1H3,(H,16,20)
InChIKeyMJPUWBHOSGMAIE-UHFFFAOYSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 79570187) is 5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione is CC1(C(F)(F)F)NC(=O)N(CCC2CCCC2=O)C1=O.
What is the InChIKey of 5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is MJPUWBHOSGMAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-11(12(13,14)15)9(19)17(10(20)16-11)6-5-7-3-2-4-8(7)18/h7H,2-6H2,1H3,(H,16,20).
What are the key properties of 5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 292.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 79570187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).