N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid

C28H26F6N6O6 — CID 11498373

About N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 11498373) has the molecular formula C28H26F6N6O6 and a molecular weight of 656.54 g/mol. Its IUPAC name is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 11498373
• Molecular Formula: C28H26F6N6O6
• Molecular Weight: 656.54 g/mol
• Exact Mass: 656.18
• IUPAC Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid
• SMILES: CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNCc3ccncc3)c2)C(=O)N1Cc1ccncc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H25F3N6O4.C2HF3O2/c1-25(2)23(37)35(24(38)34(25)16-18-7-11-31-12-8-18)19-3-4-21(39-26(27,28)29)20(13-19)33-22(36)15-32-14-17-5-9-30-10-6-17;3-2(4,5)1(6)7/h3-13,32H,14-16H2,1-2H3,(H,33,36);(H,6,7)
• InChIKey: QFRLEHSOOLXJEV-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 154.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	656.54
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid (CID 11498373) is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid is CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNCc3ccncc3)c2)C(=O)N1Cc1ccncc1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is QFRLEHSOOLXJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O4.C2HF3O2/c1-25(2)23(37)35(24(38)34(25)16-18-7-11-31-12-8-18)19-3-4-21(39-26(27,28)29)20(13-19)33-22(36)15-32-14-17-5-9-30-10-6-17;3-2(4,5)1(6)7/h3-13,32H,14-16H2,1-2H3,(H,33,36);(H,6,7).

What are the key properties of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid?

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 656.54 g/mol, XLogP of 4.48, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11498373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).