4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C23H19F3N4O3S — CID 156738814

About 4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 156738814) has the molecular formula C23H19F3N4O3S and a molecular weight of 488.49 g/mol. Its IUPAC name is 4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 156738814
• Molecular Formula: C23H19F3N4O3S
• Molecular Weight: 488.49 g/mol
• Exact Mass: 488.11
• IUPAC Name: 4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1ccc(C(=O)NCC2(c3scnc3C)NC(=O)NC2=O)c(-c2ccc(C(F)(F)F)cc2)c1
• InChI: InChI=1S/C23H19F3N4O3S/c1-12-3-8-16(17(9-12)14-4-6-15(7-5-14)23(24,25)26)19(31)27-10-22(18-13(2)28-11-34-18)20(32)29-21(33)30-22/h3-9,11H,10H2,1-2H3,(H,27,31)(H2,29,30,32,33)
• InChIKey: YPVIWVCJKZJSMN-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 100.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.49
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	3
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 4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 156738814) is 4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)NCC2(c3scnc3C)NC(=O)NC2=O)c(-c2ccc(C(F)(F)F)cc2)c1.

What is the InChIKey of 4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The InChIKey is YPVIWVCJKZJSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3S/c1-12-3-8-16(17(9-12)14-4-6-15(7-5-14)23(24,25)26)19(31)27-10-22(18-13(2)28-11-34-18)20(32)29-21(33)30-22/h3-9,11H,10H2,1-2H3,(H,27,31)(H2,29,30,32,33).

What are the key properties of 4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 488.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 156738814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).