sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate

C17H13N2NaO4 — CID 141290574

IUPACsodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate
SMILESO=C([O-])CN1C(=O)C(c2ccccc2)N(c2ccccc2)C1=O.[Na+]
InChIInChI=1S/C17H14N2O4.Na/c20-14(21)11-18-16(22)15(12-7-3-1-4-8-12)19(17(18)23)13-9-5-2-6-10-13;/h1-10,15H,11H2,(H,20,21);/q;+1/p-1
InChIKeyISSDYFANMTZITF-UHFFFAOYSA-M
MW332.29 g/mol
LogP-2.05
Rot. Bonds4

About sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate

sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate (PubChem CID 141290574) has the molecular formula C17H13N2NaO4 and a molecular weight of 332.29 g/mol. Its IUPAC name is sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Namesodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate
PubChem CID141290574
Molecular FormulaC17H13N2NaO4
Molecular Weight332.29 g/mol
Exact Mass332.08
IUPAC Namesodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate
SMILESO=C([O-])CN1C(=O)C(c2ccccc2)N(c2ccccc2)C1=O.[Na+]
InChIInChI=1S/C17H14N2O4.Na/c20-14(21)11-18-16(22)15(12-7-3-1-4-8-12)19(17(18)23)13-9-5-2-6-10-13;/h1-10,15H,11H2,(H,20,21);/q;+1/p-1
InChIKeyISSDYFANMTZITF-UHFFFAOYSA-M
XLogP-2.05
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 5-2.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-1,3,5-triphenylimidazolidine-2,4-dione
CID 154708380
2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid
CID 19087968
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
1,5-diphenyl-3-triethylsilylimidazolidine-2,4-dione
CID 140848596
1,5-diphenyl-3-tritylimidazolidine-2,4-dione
CID 44614596
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
CID 46696889
2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 46698957
benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54702886
2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate
CID 6939094
(5S)-3-[2-(2-methoxyphenyl)-2-oxoethyl]-5-methyl-1-phenylimidazolidine-2,4-dione
CID 39026900
2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 95147683

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate?
The IUPAC name of sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate (CID 141290574) is sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate.
What is the SMILES notation for sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate?
The canonical SMILES for sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate is O=C([O-])CN1C(=O)C(c2ccccc2)N(c2ccccc2)C1=O.[Na+].
What is the InChIKey of sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate?
The InChIKey is ISSDYFANMTZITF-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14N2O4.Na/c20-14(21)11-18-16(22)15(12-7-3-1-4-8-12)19(17(18)23)13-9-5-2-6-10-13;/h1-10,15H,11H2,(H,20,21);/q;+1/p-1.
What are the key properties of sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate?
sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate has a molecular weight of 332.29 g/mol, XLogP of -2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)acetate is sourced from PubChem (CID 141290574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).