N-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide

C20H16ClN5O3 — CID 135901994

About N-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide

N-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide (PubChem CID 135901994) has the molecular formula C20H16ClN5O3 and a molecular weight of 409.83 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
• PubChem CID: 135901994
• Molecular Formula: C20H16ClN5O3
• Molecular Weight: 409.83 g/mol
• Exact Mass: 409.09
• IUPAC Name: N-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
• SMILES: CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1
• InChI: InChI=1S/C20H16ClN5O3/c1-11(27)12-4-8-15(9-5-12)22-17(28)10-16-19(29)24-20-23-18(25-26(16)20)13-2-6-14(21)7-3-13/h2-9,16H,10H2,1H3,(H,22,28)(H,23,24,25,29)/t16-/m1/s1
• InChIKey: FUGYPMRTXVCGAO-MRXNPFEDSA-N
• XLogP: 3.32
• TPSA: 105.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.83
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide (CID 135901994) is N-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide.

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

The canonical SMILES for N-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide is CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1.

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

The InChIKey is FUGYPMRTXVCGAO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H16ClN5O3/c1-11(27)12-4-8-15(9-5-12)22-17(28)10-16-19(29)24-20-23-18(25-26(16)20)13-2-6-14(21)7-3-13/h2-9,16H,10H2,1H3,(H,22,28)(H,23,24,25,29)/t16-/m1/s1.

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

N-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide has a molecular weight of 409.83 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide is sourced from PubChem (CID 135901994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).