2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

C24H26N4O5 — CID 46616357

About 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (PubChem CID 46616357) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
• PubChem CID: 46616357
• Molecular Formula: C24H26N4O5
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.19
• IUPAC Name: 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
• SMILES: COc1ccc(C2(C)NC(=O)N(CC(=O)NCc3ccc(N4CCCC4=O)cc3)C2=O)cc1
• InChI: InChI=1S/C24H26N4O5/c1-24(17-7-11-19(33-2)12-8-17)22(31)28(23(32)26-24)15-20(29)25-14-16-5-9-18(10-6-16)27-13-3-4-21(27)30/h5-12H,3-4,13-15H2,1-2H3,(H,25,29)(H,26,32)
• InChIKey: SORWPEFZYZNUTD-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?

The IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (CID 46616357) is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.

What is the SMILES notation for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?

The canonical SMILES for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)NCc3ccc(N4CCCC4=O)cc3)C2=O)cc1.

What is the InChIKey of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?

The InChIKey is SORWPEFZYZNUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-24(17-7-11-19(33-2)12-8-17)22(31)28(23(32)26-24)15-20(29)25-14-16-5-9-18(10-6-16)27-13-3-4-21(27)30/h5-12H,3-4,13-15H2,1-2H3,(H,25,29)(H,26,32).

What are the key properties of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide has a molecular weight of 450.50 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 46616357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).