2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

C26H31F2N3O4 — CID 47094404

About 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (PubChem CID 47094404) has the molecular formula C26H31F2N3O4 and a molecular weight of 487.55 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
• PubChem CID: 47094404
• Molecular Formula: C26H31F2N3O4
• Molecular Weight: 487.55 g/mol
• Exact Mass: 487.23
• IUPAC Name: 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
• SMILES: CC(C)c1ccc(C(NC(=O)CN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)C(C)C)cc1
• InChI: InChI=1S/C26H31F2N3O4/c1-15(2)17-6-8-18(9-7-17)22(16(3)4)29-21(32)14-31-23(33)26(5,30-25(31)34)19-10-12-20(13-11-19)35-24(27)28/h6-13,15-16,22,24H,14H2,1-5H3,(H,29,32)(H,30,34)
• InChIKey: IFKJVKASMWJFRF-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.55
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
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-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?

The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (CID 47094404) is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.

What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?

The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is CC(C)c1ccc(C(NC(=O)CN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)C(C)C)cc1.

What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?

The InChIKey is IFKJVKASMWJFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O4/c1-15(2)17-6-8-18(9-7-17)22(16(3)4)29-21(32)14-31-23(33)26(5,30-25(31)34)19-10-12-20(13-11-19)35-24(27)28/h6-13,15-16,22,24H,14H2,1-5H3,(H,29,32)(H,30,34).

What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?

2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide has a molecular weight of 487.55 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is sourced from PubChem (CID 47094404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).