ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate

C21H22N2O5 — CID 75425557

IUPACethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate
SMILESCCOC(=O)COCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C21H22N2O5/c1-2-28-18(24)15-27-14-13-23-19(25)21(22-20(23)26,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,22,26)
InChIKeyZXLIFLCIOQSZJA-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.06
Rot. Bonds8

About ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate

ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate (PubChem CID 75425557) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate
PubChem CID75425557
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Nameethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate
SMILESCCOC(=O)COCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C21H22N2O5/c1-2-28-18(24)15-27-14-13-23-19(25)21(22-20(23)26,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,22,26)
InChIKeyZXLIFLCIOQSZJA-UHFFFAOYSA-N
XLogP2.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 75425553
ethyl 2-[2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 75425550
ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 97320229
3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
3-hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
3-(2-oxobutyl)-5,5-diphenylimidazolidine-2,4-dione
CID 51108463
[2-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methoxy]-2-oxoethyl]-trimethylazanium
CID 54027160
butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8673066
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
CID 3084726
ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate
CID 4855786
2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate
CID 3785174
5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione
CID 2221675

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate (CID 75425557) is ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate is CCOC(=O)COCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate?
The InChIKey is ZXLIFLCIOQSZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-2-28-18(24)15-27-14-13-23-19(25)21(22-20(23)26,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,22,26).
What are the key properties of ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate?
ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate has a molecular weight of 382.42 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate is sourced from PubChem (CID 75425557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).