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

C14H12N2O3S — CID 115285697

IUPAC3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)NC(c3cccs3)C2=O)cc1
InChIInChI=1S/C14H12N2O3S/c1-19-10-6-4-9(5-7-10)16-13(17)12(15-14(16)18)11-3-2-8-20-11/h2-8,12H,1H3,(H,15,18)
InChIKeyGVVJVMBWTSPPMV-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.55
Rot. Bonds3

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

3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 115285697) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID115285697
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)NC(c3cccs3)C2=O)cc1
InChIInChI=1S/C14H12N2O3S/c1-19-10-6-4-9(5-7-10)16-13(17)12(15-14(16)18)11-3-2-8-20-11/h2-8,12H,1H3,(H,15,18)
InChIKeyGVVJVMBWTSPPMV-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
(2R,6S,7R,9S,13S,14S)-4,11-bis(4-methoxyphenyl)-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 99663781
6-(4-methoxyphenyl)-5-sulfanylidene-3-thiophen-2-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 3403954
(3R,3aR,6aS)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 11880849
(3R,3aS,6aR)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 1075935
3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285691
2-methoxyethyl (6R)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate
CID 8650377
(3R,3aR,6aS)-2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 11880709
(5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 7129164
14-(4-methoxyphenyl)-9-thiophen-2-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione
CID 16557937
ethyl (1S,3R,3aS,6aS)-5-(4-methoxyphenyl)-3-methyl-4,6-dioxo-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 25409532

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione (CID 115285697) is 3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione is COc1ccc(N2C(=O)NC(c3cccs3)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is GVVJVMBWTSPPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-19-10-6-4-9(5-7-10)16-13(17)12(15-14(16)18)11-3-2-8-20-11/h2-8,12H,1H3,(H,15,18).
What are the key properties of 3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 288.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 115285697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).