sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione

C15H11N2NaO2 — CID 657302

IUPACsodium 5,5-diphenylimidazolidin-3-ide-2,4-dione
SMILESO=C1[N-]C(=O)C(c2ccccc2)(c2ccccc2)N1.[Na+]
InChIInChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1
InChIKeyFJPYVLNWWICYDW-UHFFFAOYSA-M
MW274.26 g/mol
LogP-0.44
Rot. Bonds2

About sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione

sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione (PubChem CID 657302) has the molecular formula C15H11N2NaO2 and a molecular weight of 274.26 g/mol. Its IUPAC name is sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione.

Molecular Properties

Compound Namesodium 5,5-diphenylimidazolidin-3-ide-2,4-dione
PubChem CID657302
Molecular FormulaC15H11N2NaO2
Molecular Weight274.26 g/mol
Exact Mass274.07
IUPAC Namesodium 5,5-diphenylimidazolidin-3-ide-2,4-dione
SMILESO=C1[N-]C(=O)C(c2ccccc2)(c2ccccc2)N1.[Na+]
InChIInChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1
InChIKeyFJPYVLNWWICYDW-UHFFFAOYSA-M
XLogP-0.44
TPSA60.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione?
The IUPAC name of sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione (CID 657302) is sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione.
What is the SMILES notation for sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione?
The canonical SMILES for sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione is O=C1[N-]C(=O)C(c2ccccc2)(c2ccccc2)N1.[Na+].
What is the InChIKey of sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione?
The InChIKey is FJPYVLNWWICYDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1.
What are the key properties of sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione?
sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione has a molecular weight of 274.26 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione is sourced from PubChem (CID 657302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).