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

C28H25F3N6O4 — CID 66915868

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

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 66915868) has the molecular formula C28H25F3N6O4 and a molecular weight of 566.54 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-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide
• PubChem CID: 66915868
• Molecular Formula: C28H25F3N6O4
• Molecular Weight: 566.54 g/mol
• Exact Mass: 566.19
• IUPAC Name: N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide
• SMILES: Cc1nc2ccccc2n1CC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1OC(F)(F)F
• InChI: InChI=1S/C28H25F3N6O4/c1-17-33-20-6-4-5-7-22(20)35(17)16-24(38)34-21-14-19(8-9-23(21)41-28(29,30)31)37-25(39)27(2,3)36(26(37)40)15-18-10-12-32-13-11-18/h4-14H,15-16H2,1-3H3,(H,34,38)
• InChIKey: FXCDVMDZHWVGBN-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 109.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.54
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
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-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide?

The IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 66915868) is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide.

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-methylbenzimidazol-1-yl)acetamide?

The canonical SMILES for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1OC(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-methylbenzimidazol-1-yl)acetamide?

The InChIKey is FXCDVMDZHWVGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N6O4/c1-17-33-20-6-4-5-7-22(20)35(17)16-24(38)34-21-14-19(8-9-23(21)41-28(29,30)31)37-25(39)27(2,3)36(26(37)40)15-18-10-12-32-13-11-18/h4-14H,15-16H2,1-3H3,(H,34,38).

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-methylbenzimidazol-1-yl)acetamide?

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 566.54 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 66915868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).