1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C15H17F3N2O3 — CID 143036897

IUPAC1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CCO)C(C)(C)C2=O)cc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-9-4-5-10(8-11(9)15(16,17)18)20-12(22)14(2,3)19(6-7-21)13(20)23/h4-5,8,21H,6-7H2,1-3H3
InChIKeySCEYOYNSQNCZOI-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.55
Rot. Bonds3

About 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 143036897) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID143036897
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CCO)C(C)(C)C2=O)cc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-9-4-5-10(8-11(9)15(16,17)18)20-12(22)14(2,3)19(6-7-21)13(20)23/h4-5,8,21H,6-7H2,1-3H3
InChIKeySCEYOYNSQNCZOI-UHFFFAOYSA-N
XLogP2.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.55
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

2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]acetonitrile
CID 162657022
1-(5-iodopentyl)-5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46945768
1-[7-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]heptyl]-5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione;5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 160756691
N-[4-[4,4-dimethyl-2,5-dioxo-3-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]imidazolidin-1-yl]-2-(trifluoromethyl)phenyl]-N-methylacetamide
CID 86663799
ethyl 2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]acetate
CID 22116931
1-[2-[2-(2-iodoethoxy)ethoxy]ethyl]-5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 66751104
4-[1-(2-hydroxyethyl)-2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl]-2-(trifluoromethyl)benzonitrile
CID 15345500
1-[2-[2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione;5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 157314100
1-[(2-amino-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 58154385
1-[(2-bromo-4-fluorophenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 59384224
4-[4,4-dimethyl-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 58360653
4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl cyclopentyl carbonate
CID 15838447

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 143036897) is 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(CCO)C(C)(C)C2=O)cc1C(F)(F)F.
What is the InChIKey of 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is SCEYOYNSQNCZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-9-4-5-10(8-11(9)15(16,17)18)20-12(22)14(2,3)19(6-7-21)13(20)23/h4-5,8,21H,6-7H2,1-3H3.
What are the key properties of 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 330.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143036897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).