3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione

C17H17N2O5P — CID 58600236

IUPAC3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione
SMILESCOP(=O)(OC)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C17H17N2O5P/c1-23-25(22,24-2)19-15(20)17(18-16(19)21,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,18,21)
InChIKeyODBVPGBCCJNTMU-UHFFFAOYSA-N
MW360.31 g/mol
LogP2.88
Rot. Bonds5

About 3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione

3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 58600236) has the molecular formula C17H17N2O5P and a molecular weight of 360.31 g/mol. Its IUPAC name is 3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione
PubChem CID58600236
Molecular FormulaC17H17N2O5P
Molecular Weight360.31 g/mol
Exact Mass360.09
IUPAC Name3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione
SMILESCOP(=O)(OC)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C17H17N2O5P/c1-23-25(22,24-2)19-15(20)17(18-16(19)21,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,18,21)
InChIKeyODBVPGBCCJNTMU-UHFFFAOYSA-N
XLogP2.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione (CID 58600236) is 3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione is COP(=O)(OC)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is ODBVPGBCCJNTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N2O5P/c1-23-25(22,24-2)19-15(20)17(18-16(19)21,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,18,21).
What are the key properties of 3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione?
3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 360.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxyphosphoryl-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 58600236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).