3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione

C13H9FN2O2S — CID 115285691

IUPAC3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(c2cccs2)C(=O)N1c1ccccc1F
InChIInChI=1S/C13H9FN2O2S/c14-8-4-1-2-5-9(8)16-12(17)11(15-13(16)18)10-6-3-7-19-10/h1-7,11H,(H,15,18)
InChIKeyAWKPLTDRNXYWCK-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.68
Rot. Bonds2

About 3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione

3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 115285691) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID115285691
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC Name3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(c2cccs2)C(=O)N1c1ccccc1F
InChIInChI=1S/C13H9FN2O2S/c14-8-4-1-2-5-9(8)16-12(17)11(15-13(16)18)10-6-3-7-19-10/h1-7,11H,(H,15,18)
InChIKeyAWKPLTDRNXYWCK-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.68
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

3-(2-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 4054922
5-cyclohexyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 61015750
3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285697
4-(2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)benzonitrile
CID 115285684
3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285707
5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 43402824
1-(2-fluorophenyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 703498
3-(2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 62674667
methyl (1R,3S,3aS,6aS)-5-(2-fluorophenyl)-3-methyl-4,6-dioxo-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate
CID 7402381
methyl (1R,3S,3aR,6aS)-5-(2-fluorophenyl)-4,6-dioxo-3-phenyl-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 92655872
2-(2-fluorophenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione
CID 18625313
(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292395

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione (CID 115285691) is 3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione is O=C1NC(c2cccs2)C(=O)N1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is AWKPLTDRNXYWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c14-8-4-1-2-5-9(8)16-12(17)11(15-13(16)18)10-6-3-7-19-10/h1-7,11H,(H,15,18).
What are the key properties of 3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 276.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 115285691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).