2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide

C20H17F3N4O2S — CID 74632950

About 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide (PubChem CID 74632950) has the molecular formula C20H17F3N4O2S and a molecular weight of 434.44 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
• PubChem CID: 74632950
• Molecular Formula: C20H17F3N4O2S
• Molecular Weight: 434.44 g/mol
• Exact Mass: 434.10
• IUPAC Name: 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
• SMILES: O=C(CN1CSCC1=O)NC(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1
• InChI: InChI=1S/C20H17F3N4O2S/c21-20(22,23)19-24-14-7-6-13(8-15(14)25-19)18(12-4-2-1-3-5-12)26-16(28)9-27-11-30-10-17(27)29/h1-8,18H,9-11H2,(H,24,25)(H,26,28)
• InChIKey: LXLXJKBQDBBNBH-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.44
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide?

The IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide (CID 74632950) is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide.

What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide?

The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide is O=C(CN1CSCC1=O)NC(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1.

What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide?

The InChIKey is LXLXJKBQDBBNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S/c21-20(22,23)19-24-14-7-6-13(8-15(14)25-19)18(12-4-2-1-3-5-12)26-16(28)9-27-11-30-10-17(27)29/h1-8,18H,9-11H2,(H,24,25)(H,26,28).

What are the key properties of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide?

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide has a molecular weight of 434.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 74632950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).