N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C25H24ClN3O5 — CID 24547671

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 24547671) has the molecular formula C25H24ClN3O5 and a molecular weight of 481.94 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
• PubChem CID: 24547671
• Molecular Formula: C25H24ClN3O5
• Molecular Weight: 481.94 g/mol
• Exact Mass: 481.14
• IUPAC Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
• SMILES: COc1ccc(C2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1
• InChI: InChI=1S/C25H24ClN3O5/c1-25(17-6-10-19(33-3)11-7-17)23(31)29(24(32)27-25)15-22(30)28(2)14-20-12-13-21(34-20)16-4-8-18(26)9-5-16/h4-13H,14-15H2,1-3H3,(H,27,32)
• InChIKey: WRKROJXBGGTQGQ-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.94
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
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 N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 24547671) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1.

What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The InChIKey is WRKROJXBGGTQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O5/c1-25(17-6-10-19(33-3)11-7-17)23(31)29(24(32)27-25)15-22(30)28(2)14-20-12-13-21(34-20)16-4-8-18(26)9-5-16/h4-13H,14-15H2,1-3H3,(H,27,32).

What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 481.94 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 24547671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).