3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione

C16H14Cl2N2O3S — CID 60617438

IUPAC3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCC1(c2ccsc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C16H14Cl2N2O3S/c1-16(10-4-7-24-9-10)14(21)20(15(22)19-16)5-6-23-13-3-2-11(17)8-12(13)18/h2-4,7-9H,5-6H2,1H3,(H,19,22)
InChIKeyZVAHKSLAGWRSLP-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.90
Rot. Bonds5

About 3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione

3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 60617438) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID60617438
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC Name3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCC1(c2ccsc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C16H14Cl2N2O3S/c1-16(10-4-7-24-9-10)14(21)20(15(22)19-16)5-6-23-13-3-2-11(17)8-12(13)18/h2-4,7-9H,5-6H2,1H3,(H,19,22)
InChIKeyZVAHKSLAGWRSLP-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.90
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

5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
2-[2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)ethoxy]benzonitrile
CID 51106599
3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 5095700
(5R)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 2117014
(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170722
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7691911
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2417216
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930
3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4826856
3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 75671649
N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 47092908

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione (CID 60617438) is 3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione is CC1(c2ccsc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is ZVAHKSLAGWRSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c1-16(10-4-7-24-9-10)14(21)20(15(22)19-16)5-6-23-13-3-2-11(17)8-12(13)18/h2-4,7-9H,5-6H2,1H3,(H,19,22).
What are the key properties of 3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 385.27 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 60617438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).