1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+)

C23H12F6N8Pd — CID 58084536

About 1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+)

1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+) (PubChem CID 58084536) has the molecular formula C23H12F6N8Pd and a molecular weight of 620.81 g/mol. Its IUPAC name is 1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+).

Molecular Properties

• Compound Name: 1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+)
• PubChem CID: 58084536
• Molecular Formula: C23H12F6N8Pd
• Molecular Weight: 620.81 g/mol
• Exact Mass: 620.01
• IUPAC Name: 1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+)
• SMILES: [C-]#[N+]c1n[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C#N)c4C(F)(F)F)n3)n2)c1C(F)(F)F.[Pd+2]
• InChI: InChI=1S/C23H12F6N8.Pd/c1-21(2,14-6-4-8-16(34-14)36-11-32-13(10-30)18(36)22(24,25)26)15-7-5-9-17(35-15)37-12-33-20(31-3)19(37)23(27,28)29;/h4-9H,1-2H3;/q-2;+2
• InChIKey: NHWJAOLJTCLXCY-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 89.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.81
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+)?

The IUPAC name of 1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+) (CID 58084536) is 1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+).

What is the SMILES notation for 1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+)?

The canonical SMILES for 1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+) is [C-]#[N+]c1n[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C#N)c4C(F)(F)F)n3)n2)c1C(F)(F)F.[Pd+2].

What is the InChIKey of 1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+)?

The InChIKey is NHWJAOLJTCLXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12F6N8.Pd/c1-21(2,14-6-4-8-16(34-14)36-11-32-13(10-30)18(36)22(24,25)26)15-7-5-9-17(35-15)37-12-33-20(31-3)19(37)23(27,28)29;/h4-9H,1-2H3;/q-2;+2.

What are the key properties of 1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+)?

1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+) has a molecular weight of 620.81 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[2-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;palladium(2+) is sourced from PubChem (CID 58084536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).