2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide

C19H19N3O4 — CID 17433808

IUPAC2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccccc2CN2C(=O)CNC2=O)c1
InChIInChI=1S/C19H19N3O4/c1-26-15-7-4-5-13(9-15)10-20-18(24)16-8-3-2-6-14(16)12-22-17(23)11-21-19(22)25/h2-9H,10-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyHSNWIJIRGPSKME-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.68
Rot. Bonds6

About 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 17433808) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID17433808
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccccc2CN2C(=O)CNC2=O)c1
InChIInChI=1S/C19H19N3O4/c1-26-15-7-4-5-13(9-15)10-20-18(24)16-8-3-2-6-14(16)12-22-17(23)11-21-19(22)25/h2-9H,10-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyHSNWIJIRGPSKME-UHFFFAOYSA-N
XLogP1.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.68
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-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide (CID 17433808) is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccccc2CN2C(=O)CNC2=O)c1.
What is the InChIKey of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is HSNWIJIRGPSKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-15-7-4-5-13(9-15)10-20-18(24)16-8-3-2-6-14(16)12-22-17(23)11-21-19(22)25/h2-9H,10-12H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 17433808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).