2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid

C17H14N2O4 — CID 19087968

IUPAC2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)N(c2ccccc2)C(=O)C1c1ccccc1
InChIInChI=1S/C17H14N2O4/c20-14(21)11-18-15(12-7-3-1-4-8-12)16(22)19(17(18)23)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,20,21)
InChIKeyOPVOLYDKOQGBFM-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.28
Rot. Bonds4

About 2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid

2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid (PubChem CID 19087968) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid
PubChem CID19087968
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)N(c2ccccc2)C(=O)C1c1ccccc1
InChIInChI=1S/C17H14N2O4/c20-14(21)11-18-15(12-7-3-1-4-8-12)16(22)19(17(18)23)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,20,21)
InChIKeyOPVOLYDKOQGBFM-UHFFFAOYSA-N
XLogP2.28
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid (CID 19087968) is 2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid is O=C(O)CN1C(=O)N(c2ccccc2)C(=O)C1c1ccccc1.
What is the InChIKey of 2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid?
The InChIKey is OPVOLYDKOQGBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-14(21)11-18-15(12-7-3-1-4-8-12)16(22)19(17(18)23)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,20,21).
What are the key properties of 2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid?
2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid has a molecular weight of 310.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 19087968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).