3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

C24H26N2O4 — CID 42915922

IUPAC3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CCC2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CCC4)C2=O)cc1
InChIInChI=1S/C24H26N2O4/c1-24(13-12-16-6-10-20(30-2)11-7-16)22(28)26(23(29)25-24)15-21(27)19-9-8-17-4-3-5-18(17)14-19/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,25,29)
InChIKeyGJDUUYSXYTVTPL-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.31
Rot. Bonds7

About 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 42915922) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID42915922
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CCC2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CCC4)C2=O)cc1
InChIInChI=1S/C24H26N2O4/c1-24(13-12-16-6-10-20(30-2)11-7-16)22(28)26(23(29)25-24)15-21(27)19-9-8-17-4-3-5-18(17)14-19/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,25,29)
InChIKeyGJDUUYSXYTVTPL-UHFFFAOYSA-N
XLogP3.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.31
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

(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)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 8507218
N-cyclopropyl-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507131
N-cyclopropyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507132
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 8506856
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8506396
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8507248
5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 17428620
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 8507059
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 8507058

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione (CID 42915922) is 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione is COc1ccc(CCC2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CCC4)C2=O)cc1.
What is the InChIKey of 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GJDUUYSXYTVTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-24(13-12-16-6-10-20(30-2)11-7-16)22(28)26(23(29)25-24)15-21(27)19-9-8-17-4-3-5-18(17)14-19/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,25,29).
What are the key properties of 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 406.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42915922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).