1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione

C13H15FN2O4S — CID 56797095

IUPAC1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCC1C(=O)N(CCS(C)(=O)=O)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O4S/c1-9-12(17)15(7-8-21(2,19)20)13(18)16(9)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyHBFVFLJQMHTZEN-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.03
Rot. Bonds4

About 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione

1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 56797095) has the molecular formula C13H15FN2O4S and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID56797095
Molecular FormulaC13H15FN2O4S
Molecular Weight314.34 g/mol
Exact Mass314.07
IUPAC Name1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCC1C(=O)N(CCS(C)(=O)=O)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O4S/c1-9-12(17)15(7-8-21(2,19)20)13(18)16(9)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyHBFVFLJQMHTZEN-UHFFFAOYSA-N
XLogP1.03
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione
CID 51075561
3-[2-(4-bromophenyl)sulfonylethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 43036959
3-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 78815317
(5S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 95303849
N-(2,4-difluorophenyl)-2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51611036
(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 97002751
2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 92718268
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46809674
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9120435
(5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9285693
1-(4-fluorophenyl)-5-methyl-3-[(2-propan-2-yloxyphenyl)methyl]imidazolidine-2,4-dione
CID 55884085
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 17407367

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 56797095) is 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione is CC1C(=O)N(CCS(C)(=O)=O)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is HBFVFLJQMHTZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4S/c1-9-12(17)15(7-8-21(2,19)20)13(18)16(9)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 314.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56797095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).