2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C28H29N3O3 — CID 55622160

About 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 55622160) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
• PubChem CID: 55622160
• Molecular Formula: C28H29N3O3
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.22
• IUPAC Name: 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
• SMILES: Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O
• InChI: InChI=1S/C28H29N3O3/c1-19(2)23-16-10-11-20(3)25(23)29-24(32)18-31-27(33)26(22-14-8-5-9-15-22)30(28(31)34)17-21-12-6-4-7-13-21/h4-16,19,26H,17-18H2,1-3H3,(H,29,32)
• InChIKey: DRAVZQAUAWKEDE-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 55622160) is 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O.

What is the InChIKey of 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The InChIKey is DRAVZQAUAWKEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-19(2)23-16-10-11-20(3)25(23)29-24(32)18-31-27(33)26(22-14-8-5-9-15-22)30(28(31)34)17-21-12-6-4-7-13-21/h4-16,19,26H,17-18H2,1-3H3,(H,29,32).

What are the key properties of 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 455.56 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 55622160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).