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

C11H15F3N2O3 — CID 106801793

IUPAC5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCCC(=O)CCCN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C11H15F3N2O3/c1-3-7(17)5-4-6-16-8(18)10(2,11(12,13)14)15-9(16)19/h3-6H2,1-2H3,(H,15,19)
InChIKeyGMFHVMUCGUKJCG-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.62
Rot. Bonds5

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

5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 106801793) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID106801793
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCCC(=O)CCCN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C11H15F3N2O3/c1-3-7(17)5-4-6-16-8(18)10(2,11(12,13)14)15-9(16)19/h3-6H2,1-2H3,(H,15,19)
InChIKeyGMFHVMUCGUKJCG-UHFFFAOYSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
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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Related Compounds

3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 82849872
2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide
CID 79630523
3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 115475773
3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64995013
5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 79570187
3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione
CID 82147925
3,4-bis(methylsulfanyl)-1-(4-oxohexyl)pyrrole-2,5-dione
CID 174154391
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
CID 106801687
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one
CID 106801647
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 80611560
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 106801793) is 5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione is CCC(=O)CCCN1C(=O)NC(C)(C(F)(F)F)C1=O.
What is the InChIKey of 5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is GMFHVMUCGUKJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-3-7(17)5-4-6-16-8(18)10(2,11(12,13)14)15-9(16)19/h3-6H2,1-2H3,(H,15,19).
What are the key properties of 5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione?
5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 280.25 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 106801793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).