ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate

C13H12N2O5 — CID 134097535

IUPACethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H12N2O5/c1-2-20-10(16)8-14-11(17)12(18)15(13(14)19)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyJIPAIVUSBITBMY-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.54
Rot. Bonds4

About ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate

ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate (PubChem CID 134097535) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate
PubChem CID134097535
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Nameethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H12N2O5/c1-2-20-10(16)8-14-11(17)12(18)15(13(14)19)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyJIPAIVUSBITBMY-UHFFFAOYSA-N
XLogP0.54
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Phenylimidazolidine-2,4-dione
CID 227930
1-Phenylimidazolidine-2,4-dione
CID 570576
2-(3-(carboxymethyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
CID 228472
Methyl (4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl)acetate
CID 888423
1-Acetyl-3-phenylimidazolidine-2,4-dione
CID 890978
2-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
CID 773560
[3-(4-Methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 3426586
2-(2-Diethylcarbamoylmethyl-3,5-dioxo-4-phenyl-[1,2,4]triazolidin-1-yl)-N,N-diethyl-acetamide
CID 551781
1-Butyl-3-phenyl-2-thioxoimidazolidine-4,5-dione
CID 1777829
1-Imidazolidineacetic acid, 4-oxo-3-phenyl-2-thioxo-
CID 73139
4-Imidazolidinone, 3-ethyl-1-phenyl-2-thioxo-
CID 169847
Uracil, 1,6-dimethyl-3-phenyl-5-(1-pyrrolidinyl)-
CID 208436

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate (CID 134097535) is ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate is CCOC(=O)CN1C(=O)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate?
The InChIKey is JIPAIVUSBITBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-2-20-10(16)8-14-11(17)12(18)15(13(14)19)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate?
ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate has a molecular weight of 276.25 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate is sourced from PubChem (CID 134097535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).