2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide

C20H21N3O3 — CID 18168732

IUPAC2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccccc2CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-14-7-9-15(10-8-14)12-22(2)19(25)17-6-4-3-5-16(17)13-23-18(24)11-21-20(23)26/h3-10H,11-13H2,1-2H3,(H,21,26)
InChIKeyKZZGLDYRZQIUOV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.32
Rot. Bonds5

About 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 18168732) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
PubChem CID18168732
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccccc2CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-14-7-9-15(10-8-14)12-22(2)19(25)17-6-4-3-5-16(17)13-23-18(24)11-21-20(23)26/h3-10H,11-13H2,1-2H3,(H,21,26)
InChIKeyKZZGLDYRZQIUOV-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide (CID 18168732) is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2ccccc2CN2C(=O)CNC2=O)cc1.
What is the InChIKey of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is KZZGLDYRZQIUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-7-9-15(10-8-14)12-22(2)19(25)17-6-4-3-5-16(17)13-23-18(24)11-21-20(23)26/h3-10H,11-13H2,1-2H3,(H,21,26).
What are the key properties of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 18168732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).