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

C12H10N2O5 — CID 131843957

IUPACmethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H10N2O5/c1-19-9(15)7-13-10(16)11(17)14(12(13)18)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyAQWUTRZZDQNUKX-UHFFFAOYSA-N
MW262.22 g/mol
LogP0.15
Rot. Bonds3

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

methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate (PubChem CID 131843957) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate
PubChem CID131843957
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Namemethyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H10N2O5/c1-19-9(15)7-13-10(16)11(17)14(12(13)18)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyAQWUTRZZDQNUKX-UHFFFAOYSA-N
XLogP0.15
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 50.15
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

1-phenyl-3-propylimidazolidine-2,4,5-trione
CID 13310932
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8597411
methyl (2Z)-2-(3-benzyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)acetate
CID 70627079
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8597541
N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 25470678
methyl 2-[(5Z)-2,4-dioxo-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 2174753
1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione
CID 3028843
methyl 2-[(6R)-6-(aminomethyl)-2,4-dioxo-3-phenyl-1,3-diazinan-1-yl]acetate
CID 102278438
methyl 2-[(5Z)-5-benzylidene-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 6368309
N-[(2-methoxyphenyl)methyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 7888640
N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888555
methyl 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate
CID 1472539

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate?
The IUPAC name of methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate (CID 131843957) is methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate?
The canonical SMILES for methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate is COC(=O)CN1C(=O)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate?
The InChIKey is AQWUTRZZDQNUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-19-9(15)7-13-10(16)11(17)14(12(13)18)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate?
methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate has a molecular weight of 262.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate is sourced from PubChem (CID 131843957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).