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

C13H8Cl2N2O2S — CID 115285707

IUPAC3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(c2cccs2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O2S/c14-8-4-3-7(6-9(8)15)17-12(18)11(16-13(17)19)10-2-1-5-20-10/h1-6,11H,(H,16,19)
InChIKeyVLDRGVBQDMFRHA-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.85
Rot. Bonds2

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

3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 115285707) has the molecular formula C13H8Cl2N2O2S and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID115285707
Molecular FormulaC13H8Cl2N2O2S
Molecular Weight327.19 g/mol
Exact Mass325.97
IUPAC Name3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(c2cccs2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O2S/c14-8-4-3-7(6-9(8)15)17-12(18)11(16-13(17)19)10-2-1-5-20-10/h1-6,11H,(H,16,19)
InChIKeyVLDRGVBQDMFRHA-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.85
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-(3,4-dichlorophenyl)-5-thiophen-3-ylimidazolidine-2,4-dione
CID 86820016
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-methylimidazolidine-2,4-dione
CID 12900458
3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285691
1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 71937937
(4R)-2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1036845
(1S,2S,6R,7R)-4-(3,4-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
CID 21481119
(4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136773557
(3R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331674
(3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331673
(3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione
CID 39221355

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione (CID 115285707) is 3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione is O=C1NC(c2cccs2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is VLDRGVBQDMFRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S/c14-8-4-3-7(6-9(8)15)17-12(18)11(16-13(17)19)10-2-1-5-20-10/h1-6,11H,(H,16,19).
What are the key properties of 3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 327.19 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 115285707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).