3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione

C19H19FN2O5S — CID 56684439

IUPAC3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCC1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CCOc2ccc(F)cc2)C1=O
InChIInChI=1S/C19H19FN2O5S/c1-19(13-3-9-16(10-4-13)28(2,25)26)17(23)22(18(24)21-19)11-12-27-15-7-5-14(20)6-8-15/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyZKTZCOBSUNPFJF-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.08
Rot. Bonds6

About 3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione

3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione (PubChem CID 56684439) has the molecular formula C19H19FN2O5S and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
PubChem CID56684439
Molecular FormulaC19H19FN2O5S
Molecular Weight406.44 g/mol
Exact Mass406.10
IUPAC Name3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCC1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CCOc2ccc(F)cc2)C1=O
InChIInChI=1S/C19H19FN2O5S/c1-19(13-3-9-16(10-4-13)28(2,25)26)17(23)22(18(24)21-19)11-12-27-15-7-5-14(20)6-8-15/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyZKTZCOBSUNPFJF-UHFFFAOYSA-N
XLogP2.08
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443511
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443513
3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46615775
3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 51117079
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 52517969
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930
(5R)-5-(2-chlorophenyl)-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 40745064
4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 30804847
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562071
5-(2,5-dimethylfuran-3-yl)-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 60617655
4-[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 46641129

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione (CID 56684439) is 3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione is CC1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CCOc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
The InChIKey is ZKTZCOBSUNPFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5S/c1-19(13-3-9-16(10-4-13)28(2,25)26)17(23)22(18(24)21-19)11-12-27-15-7-5-14(20)6-8-15/h3-10H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione has a molecular weight of 406.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56684439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).