2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C26H25N3O4 — CID 16229687

IUPAC2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOC1=CC=CC=C1CNC(=O)CN2C(=O)C(NC2=O)(CC3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C26H25N3O4/c1-33-22-15-9-8-12-20(22)17-27-23(30)18-29-24(31)26(28-25(29)32,21-13-6-3-7-14-21)16-19-10-4-2-5-11-19/h2-15H,16-18H2,1H3,(H,27,30)(H,28,32)
InChIKeyRGEGHEYZSGZKPA-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.40
Rot. Bonds8

About 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 16229687) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID16229687
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOC1=CC=CC=C1CNC(=O)CN2C(=O)C(NC2=O)(CC3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C26H25N3O4/c1-33-22-15-9-8-12-20(22)17-27-23(30)18-29-24(31)26(28-25(29)32,21-13-6-3-7-14-21)16-19-10-4-2-5-11-19/h2-15H,16-18H2,1H3,(H,27,30)(H,28,32)
InChIKeyRGEGHEYZSGZKPA-UHFFFAOYSA-N
XLogP3.40
TPSA87.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity702

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.40
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-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 16229687) is 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide is COC1=CC=CC=C1CNC(=O)CN2C(=O)C(NC2=O)(CC3=CC=CC=C3)C4=CC=CC=C4.
What is the InChIKey of 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is RGEGHEYZSGZKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-33-22-15-9-8-12-20(22)17-27-23(30)18-29-24(31)26(28-25(29)32,21-13-6-3-7-14-21)16-19-10-4-2-5-11-19/h2-15H,16-18H2,1H3,(H,27,30)(H,28,32).
What are the key properties of 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 3.40, 8 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-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 16229687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).