N-[4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

C26H26N4O3S — CID 16611645

About N-[4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

N-[4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 16611645) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
• PubChem CID: 16611645
• Molecular Formula: C26H26N4O3S
• Molecular Weight: 474.59 g/mol
• Exact Mass: 474.17
• IUPAC Name: N-[4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
• SMILES: CC(=O)N(c1cccc(C)c1)c1nc(CN2C(=O)NC(C)(c3ccc4c(c3)CCC4)C2=O)cs1
• InChI: InChI=1S/C26H26N4O3S/c1-16-6-4-9-22(12-16)30(17(2)31)25-27-21(15-34-25)14-29-23(32)26(3,28-24(29)33)20-11-10-18-7-5-8-19(18)13-20/h4,6,9-13,15H,5,7-8,14H2,1-3H3,(H,28,33)
• InChIKey: RUBGCYWVDXYGJF-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.59
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 16611645) is N-[4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

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

The canonical SMILES for N-[4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is CC(=O)N(c1cccc(C)c1)c1nc(CN2C(=O)NC(C)(c3ccc4c(c3)CCC4)C2=O)cs1.

What is the InChIKey of N-[4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?

The InChIKey is RUBGCYWVDXYGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-16-6-4-9-22(12-16)30(17(2)31)25-27-21(15-34-25)14-29-23(32)26(3,28-24(29)33)20-11-10-18-7-5-8-19(18)13-20/h4,6,9-13,15H,5,7-8,14H2,1-3H3,(H,28,33).

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

N-[4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 474.59 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 16611645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).