N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

C24H20N4O3 — CID 127033115

IUPACN-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N/N=C/c1ccccc1
InChIInChI=1S/C24H20N4O3/c29-21(27-25-16-18-10-4-1-5-11-18)17-28-22(30)24(26-23(28)31,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16H,17H2,(H,26,31)(H,27,29)/b25-16+
InChIKeyLBKAWAHXFWDFJE-PCLIKHOPSA-N
MW412.45 g/mol
LogP2.63
Rot. Bonds6

About N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (PubChem CID 127033115) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
PubChem CID127033115
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N/N=C/c1ccccc1
InChIInChI=1S/C24H20N4O3/c29-21(27-25-16-18-10-4-1-5-11-18)17-28-22(30)24(26-23(28)31,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16H,17H2,(H,26,31)(H,27,29)/b25-16+
InChIKeyLBKAWAHXFWDFJE-PCLIKHOPSA-N
XLogP2.63
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (CID 127033115) is N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The InChIKey is LBKAWAHXFWDFJE-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-21(27-25-16-18-10-4-1-5-11-18)17-28-22(30)24(26-23(28)31,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16H,17H2,(H,26,31)(H,27,29)/b25-16+.
What are the key properties of N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide has a molecular weight of 412.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 127033115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).