2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C25H19F3N4O2S — CID 2532162

About 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2532162) has the molecular formula C25H19F3N4O2S and a molecular weight of 496.51 g/mol. Its IUPAC name is 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
• PubChem CID: 2532162
• Molecular Formula: C25H19F3N4O2S
• Molecular Weight: 496.51 g/mol
• Exact Mass: 496.12
• IUPAC Name: 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
• SMILES: O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCC(=O)Nc1ccc(F)c(F)c1F
• InChI: InChI=1S/C25H19F3N4O2S/c26-17-11-12-18(22(28)21(17)27)30-19(33)13-29-20(34)14-35-25-31-23(15-7-3-1-4-8-15)24(32-25)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,29,34)(H,30,33)(H,31,32)
• InChIKey: UWIBGEDSLONXQI-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.51
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?

The IUPAC name of 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 2532162) is 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

What is the SMILES notation for 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?

The canonical SMILES for 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCC(=O)Nc1ccc(F)c(F)c1F.

What is the InChIKey of 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?

The InChIKey is UWIBGEDSLONXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O2S/c26-17-11-12-18(22(28)21(17)27)30-19(33)13-29-20(34)14-35-25-31-23(15-7-3-1-4-8-15)24(32-25)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,29,34)(H,30,33)(H,31,32).

What are the key properties of 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?

2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 496.51 g/mol, XLogP of 5.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2532162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).