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

C22H22F3N3O4 — CID 55330580

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

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 55330580) has the molecular formula C22H22F3N3O4 and a molecular weight of 449.43 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
• PubChem CID: 55330580
• Molecular Formula: C22H22F3N3O4
• Molecular Weight: 449.43 g/mol
• Exact Mass: 449.16
• IUPAC Name: 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
• SMILES: COc1ccc(C2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(C(F)(F)F)cc3)C2=O)cc1
• InChI: InChI=1S/C22H22F3N3O4/c1-21(15-8-10-17(32-3)11-9-15)19(30)28(20(31)26-21)13-18(29)27(2)12-14-4-6-16(7-5-14)22(23,24)25/h4-11H,12-13H2,1-3H3,(H,26,31)
• InChIKey: PVHGDNOIEMUHTL-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.43
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?

The IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 55330580) is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

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

The canonical SMILES for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(C(F)(F)F)cc3)C2=O)cc1.

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

The InChIKey is PVHGDNOIEMUHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O4/c1-21(15-8-10-17(32-3)11-9-15)19(30)28(20(31)26-21)13-18(29)27(2)12-14-4-6-16(7-5-14)22(23,24)25/h4-11H,12-13H2,1-3H3,(H,26,31).

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

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 449.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55330580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).