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

C21H22N4O3 — CID 78791485

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

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide (PubChem CID 78791485) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
• PubChem CID: 78791485
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
• SMILES: CC1(C2CC2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccn2)C1=O
• InChI: InChI=1S/C21H22N4O3/c1-21(15-10-11-15)19(27)25(20(28)24-21)13-17(26)23-18(14-7-3-2-4-8-14)16-9-5-6-12-22-16/h2-9,12,15,18H,10-11,13H2,1H3,(H,23,26)(H,24,28)
• InChIKey: QKJMCVAYQAWILT-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.01
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-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?

The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide (CID 78791485) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide is CC1(C2CC2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccn2)C1=O.

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

The InChIKey is QKJMCVAYQAWILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-21(15-10-11-15)19(27)25(20(28)24-21)13-17(26)23-18(14-7-3-2-4-8-14)16-9-5-6-12-22-16/h2-9,12,15,18H,10-11,13H2,1H3,(H,23,26)(H,24,28).

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

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 78791485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).