N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide

C20H18N6O3 — CID 135649956

About N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide

N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (PubChem CID 135649956) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.

Molecular Properties

• Compound Name: N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
• PubChem CID: 135649956
• Molecular Formula: C20H18N6O3
• Molecular Weight: 390.40 g/mol
• Exact Mass: 390.14
• IUPAC Name: N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
• SMILES: CC(=O)Nc1ccc(NC(=O)CC2C(=O)Nc3nc(-c4ccccc4)nn32)cc1
• InChI: InChI=1S/C20H18N6O3/c1-12(27)21-14-7-9-15(10-8-14)22-17(28)11-16-19(29)24-20-23-18(25-26(16)20)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,21,27)(H,22,28)(H,23,24,25,29)
• InChIKey: ZVXDIFSWVRKFJU-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 118.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.40
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?

The IUPAC name of N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (CID 135649956) is N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.

What is the SMILES notation for N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?

The canonical SMILES for N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is CC(=O)Nc1ccc(NC(=O)CC2C(=O)Nc3nc(-c4ccccc4)nn32)cc1.

What is the InChIKey of N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?

The InChIKey is ZVXDIFSWVRKFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-12(27)21-14-7-9-15(10-8-14)22-17(28)11-16-19(29)24-20-23-18(25-26(16)20)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,21,27)(H,22,28)(H,23,24,25,29).

What are the key properties of N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?

N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide has a molecular weight of 390.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is sourced from PubChem (CID 135649956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).