2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide

C19H16N4O3 — CID 3314882

IUPAC2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C19H16N4O3/c20-11-14-7-4-8-15(9-14)21-17(24)12-23-18(25)16(22-19(23)26)10-13-5-2-1-3-6-13/h1-9,16H,10,12H2,(H,21,24)(H,22,26)
InChIKeyYBFYXMODJYNFJM-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.66
Rot. Bonds5

About 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide

2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide (PubChem CID 3314882) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide
PubChem CID3314882
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C19H16N4O3/c20-11-14-7-4-8-15(9-14)21-17(24)12-23-18(25)16(22-19(23)26)10-13-5-2-1-3-6-13/h1-9,16H,10,12H2,(H,21,24)(H,22,26)
InChIKeyYBFYXMODJYNFJM-UHFFFAOYSA-N
XLogP1.66
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.66
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-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide (CID 3314882) is 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide?
The InChIKey is YBFYXMODJYNFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c20-11-14-7-4-8-15(9-14)21-17(24)12-23-18(25)16(22-19(23)26)10-13-5-2-1-3-6-13/h1-9,16H,10,12H2,(H,21,24)(H,22,26).
What are the key properties of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide?
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide has a molecular weight of 348.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 3314882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).