7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide

C26H32F3N7O4 — CID 56961943

About 7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide

7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide (PubChem CID 56961943) has the molecular formula C26H32F3N7O4 and a molecular weight of 563.58 g/mol. Its IUPAC name is 7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide.

Molecular Properties

• Compound Name: 7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide
• PubChem CID: 56961943
• Molecular Formula: C26H32F3N7O4
• Molecular Weight: 563.58 g/mol
• Exact Mass: 563.25
• IUPAC Name: 7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide
• SMILES: CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCc1cn(CCCCCCC(=O)NO)nn1
• InChI: InChI=1S/C26H32F3N7O4/c1-25(2)23(38)36(20-12-11-18(16-30)21(15-20)26(27,28)29)24(39)35(25)14-8-6-9-19-17-34(33-31-19)13-7-4-3-5-10-22(37)32-40/h11-12,15,17,40H,3-10,13-14H2,1-2H3,(H,32,37)
• InChIKey: XDLCRXCDPOGMRP-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 144.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.58
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide?

The IUPAC name of 7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide (CID 56961943) is 7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide.

What is the SMILES notation for 7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide?

The canonical SMILES for 7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide is CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCc1cn(CCCCCCC(=O)NO)nn1.

What is the InChIKey of 7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide?

The InChIKey is XDLCRXCDPOGMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N7O4/c1-25(2)23(38)36(20-12-11-18(16-30)21(15-20)26(27,28)29)24(39)35(25)14-8-6-9-19-17-34(33-31-19)13-7-4-3-5-10-22(37)32-40/h11-12,15,17,40H,3-10,13-14H2,1-2H3,(H,32,37).

What are the key properties of 7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide?

7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide has a molecular weight of 563.58 g/mol, XLogP of 4.19, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butyl]triazol-1-yl]-N-hydroxyheptanamide is sourced from PubChem (CID 56961943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).