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

C26H20F3N7O3 — CID 118411510

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

N-[2-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-phenylpyrimidin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118411510) has the molecular formula C26H20F3N7O3 and a molecular weight of 535.49 g/mol. Its IUPAC name is N-[2-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-phenylpyrimidin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-phenylpyrimidin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
• PubChem CID: 118411510
• Molecular Formula: C26H20F3N7O3
• Molecular Weight: 535.49 g/mol
• Exact Mass: 535.16
• IUPAC Name: N-[2-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-phenylpyrimidin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
• SMILES: Cn1ccc(-c2cc(C(=O)Nc3cnc(CC4NC(=O)NC4=O)nc3-c3ccccc3)ccc2C(F)(F)F)n1
• InChI: InChI=1S/C26H20F3N7O3/c1-36-10-9-18(35-36)16-11-15(7-8-17(16)26(27,28)29)23(37)31-20-13-30-21(12-19-24(38)34-25(39)32-19)33-22(20)14-5-3-2-4-6-14/h2-11,13,19H,12H2,1H3,(H,31,37)(H2,32,34,38,39)
• InChIKey: DZIGRKGESWAXNZ-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 130.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.49
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-phenylpyrimidin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[2-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-phenylpyrimidin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118411510) is N-[2-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-phenylpyrimidin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

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

The canonical SMILES for N-[2-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-phenylpyrimidin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cnc(CC4NC(=O)NC4=O)nc3-c3ccccc3)ccc2C(F)(F)F)n1.

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

The InChIKey is DZIGRKGESWAXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N7O3/c1-36-10-9-18(35-36)16-11-15(7-8-17(16)26(27,28)29)23(37)31-20-13-30-21(12-19-24(38)34-25(39)32-19)33-22(20)14-5-3-2-4-6-14/h2-11,13,19H,12H2,1H3,(H,31,37)(H2,32,34,38,39).

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

N-[2-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-phenylpyrimidin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 535.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-phenylpyrimidin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118411510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).