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

C25H27F6N5O7 — CID 11541846

About N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methoxyethylamino)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-(2-methoxyethylamino)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 11541846) has the molecular formula C25H27F6N5O7 and a molecular weight of 623.51 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-(2-methoxyethylamino)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-(2-methoxyethylamino)acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 11541846
• Molecular Formula: C25H27F6N5O7
• Molecular Weight: 623.51 g/mol
• Exact Mass: 623.18
• IUPAC Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;2,2,2-trifluoroacetic acid
• SMILES: COCCNCC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1OC(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H26F3N5O5.C2HF3O2/c1-22(2)20(33)31(21(34)30(22)14-15-6-8-27-9-7-15)16-4-5-18(36-23(24,25)26)17(12-16)29-19(32)13-28-10-11-35-3;3-2(4,5)1(6)7/h4-9,12,28H,10-11,13-14H2,1-3H3,(H,29,32);(H,6,7)
• InChIKey: XJUDKXUIVKHMJX-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 150.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	623.51
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethylamino)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-(2-methoxyethylamino)acetamide;2,2,2-trifluoroacetic acid (CID 11541846) is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methoxyethylamino)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-(2-methoxyethylamino)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-(2-methoxyethylamino)acetamide;2,2,2-trifluoroacetic acid is COCCNCC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1OC(F)(F)F.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-(2-methoxyethylamino)acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is XJUDKXUIVKHMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O5.C2HF3O2/c1-22(2)20(33)31(21(34)30(22)14-15-6-8-27-9-7-15)16-4-5-18(36-23(24,25)26)17(12-16)29-19(32)13-28-10-11-35-3;3-2(4,5)1(6)7/h4-9,12,28H,10-11,13-14H2,1-3H3,(H,29,32);(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-(2-methoxyethylamino)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-(2-methoxyethylamino)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 623.51 g/mol, XLogP of 3.54, 10 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-(2-methoxyethylamino)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11541846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).