5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione

C19H20N2O4S — CID 17428620

IUPAC5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
SMILESCOc1ccc(CCC2(C)NC(=O)N(CC(=O)c3cccs3)C2=O)cc1
InChIInChI=1S/C19H20N2O4S/c1-19(10-9-13-5-7-14(25-2)8-6-13)17(23)21(18(24)20-19)12-15(22)16-4-3-11-26-16/h3-8,11H,9-10,12H2,1-2H3,(H,20,24)
InChIKeyQZYNQCBXRWCOMI-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.88
Rot. Bonds7

About 5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione

5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 17428620) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
PubChem CID17428620
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
SMILESCOc1ccc(CCC2(C)NC(=O)N(CC(=O)c3cccs3)C2=O)cc1
InChIInChI=1S/C19H20N2O4S/c1-19(10-9-13-5-7-14(25-2)8-6-13)17(23)21(18(24)20-19)12-15(22)16-4-3-11-26-16/h3-8,11H,9-10,12H2,1-2H3,(H,20,24)
InChIKeyQZYNQCBXRWCOMI-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8506396
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 8507246
(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8677038
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8507248
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 8507218
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112
N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 8506856
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8506922
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 8507184
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8567603

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione (CID 17428620) is 5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione is COc1ccc(CCC2(C)NC(=O)N(CC(=O)c3cccs3)C2=O)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The InChIKey is QZYNQCBXRWCOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-19(10-9-13-5-7-14(25-2)8-6-13)17(23)21(18(24)20-19)12-15(22)16-4-3-11-26-16/h3-8,11H,9-10,12H2,1-2H3,(H,20,24).
What are the key properties of 5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 372.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 17428620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).