2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide

C20H26N6O3 — CID 75450011

About 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide

2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 75450011) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
• PubChem CID: 75450011
• Molecular Formula: C20H26N6O3
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.21
• IUPAC Name: 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
• SMILES: Cc1ccc(C2(C)NC(=O)N(CC(=O)NCc3nnc(C(C)C)n3C)C2=O)cc1
• InChI: InChI=1S/C20H26N6O3/c1-12(2)17-24-23-15(25(17)5)10-21-16(27)11-26-18(28)20(4,22-19(26)29)14-8-6-13(3)7-9-14/h6-9,12H,10-11H2,1-5H3,(H,21,27)(H,22,29)
• InChIKey: AENLQQIUBQCURX-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?

The IUPAC name of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide (CID 75450011) is 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide.

What is the SMILES notation for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?

The canonical SMILES for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)NCc3nnc(C(C)C)n3C)C2=O)cc1.

What is the InChIKey of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?

The InChIKey is AENLQQIUBQCURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-12(2)17-24-23-15(25(17)5)10-21-16(27)11-26-18(28)20(4,22-19(26)29)14-8-6-13(3)7-9-14/h6-9,12H,10-11H2,1-5H3,(H,21,27)(H,22,29).

What are the key properties of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?

2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 398.47 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 75450011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).