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

C16H19F3N2O3 — CID 51086545

IUPAC5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(O)c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C16H19F3N2O3/c1-3-15(4-2)13(23)21(14(24)20-15)9-12(22)10-6-5-7-11(8-10)16(17,18)19/h5-8,12,22H,3-4,9H2,1-2H3,(H,20,24)
InChIKeyXRFYCBOJBJNHIY-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.85
Rot. Bonds5

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

5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione (PubChem CID 51086545) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione
PubChem CID51086545
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(O)c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C16H19F3N2O3/c1-3-15(4-2)13(23)21(14(24)20-15)9-12(22)10-6-5-7-11(8-10)16(17,18)19/h5-8,12,22H,3-4,9H2,1-2H3,(H,20,24)
InChIKeyXRFYCBOJBJNHIY-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione
CID 111476311
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
1-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 83225619
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
(5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
CID 94385279
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 81463154
2-(3-ethylpyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115688548
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103936755
2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 115792392
(5R)-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 94385905

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione (CID 51086545) is 5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(O)c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione?
The InChIKey is XRFYCBOJBJNHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-3-15(4-2)13(23)21(14(24)20-15)9-12(22)10-6-5-7-11(8-10)16(17,18)19/h5-8,12,22H,3-4,9H2,1-2H3,(H,20,24).
What are the key properties of 5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione has a molecular weight of 344.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51086545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).