2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide

C19H16N4O3 — CID 166210692

IUPAC2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide
SMILESCC(C#N)C(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C19H16N4O3/c1-13(12-20)16(24)22-23-17(25)19(21-18(23)26,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,1H3,(H,21,26)(H,22,24)
InChIKeyOVVBOXUQPCTKNS-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.67
Rot. Bonds4

About 2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide

2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide (PubChem CID 166210692) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide
PubChem CID166210692
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide
SMILESCC(C#N)C(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C19H16N4O3/c1-13(12-20)16(24)22-23-17(25)19(21-18(23)26,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,1H3,(H,21,26)(H,22,24)
InChIKeyOVVBOXUQPCTKNS-UHFFFAOYSA-N
XLogP1.67
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide?
The IUPAC name of 2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide (CID 166210692) is 2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide?
The canonical SMILES for 2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide is CC(C#N)C(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide?
The InChIKey is OVVBOXUQPCTKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-13(12-20)16(24)22-23-17(25)19(21-18(23)26,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,1H3,(H,21,26)(H,22,24).
What are the key properties of 2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide?
2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide has a molecular weight of 348.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanamide is sourced from PubChem (CID 166210692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).