3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C18H17FN2O2S — CID 112774025

IUPAC3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CCSc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H17FN2O2S/c1-18(13-5-3-2-4-6-13)16(22)21(17(23)20-18)11-12-24-15-9-7-14(19)8-10-15/h2-10H,11-12H2,1H3,(H,20,23)
InChIKeyDOQCZBZYJNEQOE-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.38
Rot. Bonds5

About 3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione

3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 112774025) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID112774025
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CCSc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H17FN2O2S/c1-18(13-5-3-2-4-6-13)16(22)21(17(23)20-18)11-12-24-15-9-7-14(19)8-10-15/h2-10H,11-12H2,1H3,(H,20,23)
InChIKeyDOQCZBZYJNEQOE-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.38
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

5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
2-(4-fluorophenoxy)ethyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708214
4-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanenitrile
CID 78881629
3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4826856
N-ethyl-N-(4-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 78561438
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
5-methyl-3-(2-phenylethyl)-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110226505
3-[[benzyl(methyl)amino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4215276
5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione
CID 2221675
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
N-(4-fluoro-2-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8865010
N-(4-fluoro-2-methylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8865016

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 112774025) is 3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is CC1(c2ccccc2)NC(=O)N(CCSc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is DOQCZBZYJNEQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-18(13-5-3-2-4-6-13)16(22)21(17(23)20-18)11-12-24-15-9-7-14(19)8-10-15/h2-10H,11-12H2,1H3,(H,20,23).
What are the key properties of 3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 344.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 112774025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).