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

C23H18F5N5O3 — CID 167327970

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

4-(difluoromethyl)-N-[[4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 167327970) has the molecular formula C23H18F5N5O3 and a molecular weight of 507.42 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[[4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-(difluoromethyl)-N-[[4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 167327970
• Molecular Formula: C23H18F5N5O3
• Molecular Weight: 507.42 g/mol
• Exact Mass: 507.13
• IUPAC Name: 4-(difluoromethyl)-N-[[4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: Cn1nccc1C1(CNC(=O)c2ccc(C(F)F)cc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
• InChI: InChI=1S/C23H18F5N5O3/c1-33-17(8-9-30-33)22(20(35)31-21(36)32-22)11-29-19(34)15-7-4-13(18(24)25)10-16(15)12-2-5-14(6-3-12)23(26,27)28/h2-10,18H,11H2,1H3,(H,29,34)(H2,31,32,35,36)
• InChIKey: IZTMKIZXIAPRFX-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 105.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.42
LogP ≤ 5	3.51
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-(difluoromethyl)-N-[[4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 4-(difluoromethyl)-N-[[4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 167327970) is 4-(difluoromethyl)-N-[[4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

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

The canonical SMILES for 4-(difluoromethyl)-N-[[4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is Cn1nccc1C1(CNC(=O)c2ccc(C(F)F)cc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O.

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

The InChIKey is IZTMKIZXIAPRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N5O3/c1-33-17(8-9-30-33)22(20(35)31-21(36)32-22)11-29-19(34)15-7-4-13(18(24)25)10-16(15)12-2-5-14(6-3-12)23(26,27)28/h2-10,18H,11H2,1H3,(H,29,34)(H2,31,32,35,36).

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

4-(difluoromethyl)-N-[[4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 507.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethyl)-N-[[4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 167327970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).