8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide

C30H32F3N7O4 — CID 56961887

About 8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide

8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide (PubChem CID 56961887) has the molecular formula C30H32F3N7O4 and a molecular weight of 611.63 g/mol. Its IUPAC name is 8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide.

Molecular Properties

• Compound Name: 8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide
• PubChem CID: 56961887
• Molecular Formula: C30H32F3N7O4
• Molecular Weight: 611.63 g/mol
• Exact Mass: 611.25
• IUPAC Name: 8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide
• SMILES: CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-c2cn(CCCCCCCC(=O)NO)nn2)cc1
• InChI: InChI=1S/C30H32F3N7O4/c1-29(2)27(42)40(23-14-13-22(17-34)24(16-23)30(31,32)33)28(43)39(29)18-20-9-11-21(12-10-20)25-19-38(37-35-25)15-7-5-3-4-6-8-26(41)36-44/h9-14,16,19,44H,3-8,15,18H2,1-2H3,(H,36,41)
• InChIKey: ZUMBXUKAGWHZCR-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 144.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.63
LogP ≤ 5	5.43
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 8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide?

The IUPAC name of 8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide (CID 56961887) is 8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide.

What is the SMILES notation for 8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide?

The canonical SMILES for 8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide is CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-c2cn(CCCCCCCC(=O)NO)nn2)cc1.

What is the InChIKey of 8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide?

The InChIKey is ZUMBXUKAGWHZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N7O4/c1-29(2)27(42)40(23-14-13-22(17-34)24(16-23)30(31,32)33)28(43)39(29)18-20-9-11-21(12-10-20)25-19-38(37-35-25)15-7-5-3-4-6-8-26(41)36-44/h9-14,16,19,44H,3-8,15,18H2,1-2H3,(H,36,41).

What are the key properties of 8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide?

8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide has a molecular weight of 611.63 g/mol, XLogP of 5.43, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]triazol-1-yl]-N-hydroxyoctanamide is sourced from PubChem (CID 56961887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).