2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

C21H17F3N6Pt — CID 58444770

About 2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (PubChem CID 58444770) has the molecular formula C21H17F3N6Pt and a molecular weight of 605.48 g/mol. Its IUPAC name is 2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
• PubChem CID: 58444770
• Molecular Formula: C21H17F3N6Pt
• Molecular Weight: 605.48 g/mol
• Exact Mass: 605.11
• IUPAC Name: 2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
• SMILES: Cc1cn(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(F)(F)F)c4)n3)n2)[c-]n1.[Pt+2]
• InChI: InChI=1S/C21H17F3N6.Pt/c1-14-10-29(12-25-14)18-8-4-6-15(27-18)20(2,3)16-7-5-9-19(28-16)30-11-17(26-13-30)21(22,23)24;/h4-11H,1-3H3;/q-2;+2
• InChIKey: GSPQCQFCXPKOKG-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.48
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The IUPAC name of 2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (CID 58444770) is 2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is Cc1cn(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C(F)(F)F)c4)n3)n2)[c-]n1.[Pt+2].

What is the InChIKey of 2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The InChIKey is GSPQCQFCXPKOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6.Pt/c1-14-10-29(12-25-14)18-8-4-6-15(27-18)20(2,3)16-7-5-9-19(28-16)30-11-17(26-13-30)21(22,23)24;/h4-11H,1-3H3;/q-2;+2.

What are the key properties of 2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) has a molecular weight of 605.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 58444770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).