3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione

C13H15FN2O3 — CID 32519562

IUPAC3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H15FN2O3/c1-13(2)11(18)16(12(19)15-13)7-10(17)8-3-5-9(14)6-4-8/h3-6,10,17H,7H2,1-2H3,(H,15,19)/t10-/m1/s1
InChIKeyKYRGMAGWFQGTBB-SNVBAGLBSA-N
MW266.27 g/mol
LogP1.19
Rot. Bonds3

About 3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 32519562) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID32519562
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H15FN2O3/c1-13(2)11(18)16(12(19)15-13)7-10(17)8-3-5-9(14)6-4-8/h3-6,10,17H,7H2,1-2H3,(H,15,19)/t10-/m1/s1
InChIKeyKYRGMAGWFQGTBB-SNVBAGLBSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.19
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-ethyl-5-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]imidazolidine-2,4-dione
CID 42938170
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 32519552
(5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 95323284
5-ethyl-5-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)imidazolidine-2,4-dione
CID 17454359
3'-[2-(4-fluorophenyl)-2-hydroxyethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51075560
5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione
CID 111476311
3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5307270
3-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 94385012
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 18111423
(5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
CID 94385279
5,5-diethyl-3-[(2R)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571809

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 32519562) is 3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KYRGMAGWFQGTBB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-13(2)11(18)16(12(19)15-13)7-10(17)8-3-5-9(14)6-4-8/h3-6,10,17H,7H2,1-2H3,(H,15,19)/t10-/m1/s1.
What are the key properties of 3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 266.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 32519562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).