1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+)

C26H16F3N7Pt — CID 58444707

About 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+)

1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+) (PubChem CID 58444707) has the molecular formula C26H16F3N7Pt and a molecular weight of 678.54 g/mol. Its IUPAC name is 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+).

Molecular Properties

• Compound Name: 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+)
• PubChem CID: 58444707
• Molecular Formula: C26H16F3N7Pt
• Molecular Weight: 678.54 g/mol
• Exact Mass: 678.11
• IUPAC Name: 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+)
• SMILES: CC(c1cccc(-n2[c-]nc3ccccc32)n1)(c1ccnc(-n2[c-]nc3ccccc32)n1)C(F)(F)F.[Pt+2]
• InChI: InChI=1S/C26H16F3N7.Pt/c1-25(26(27,28)29,21-11-6-12-23(33-21)35-15-31-17-7-2-4-9-19(17)35)22-13-14-30-24(34-22)36-16-32-18-8-3-5-10-20(18)36;/h2-14H,1H3;/q-2;+2
• InChIKey: ILKKZKDRLSJIPD-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.54
LogP ≤ 5	5.02
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-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+)?

The IUPAC name of 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+) (CID 58444707) is 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+).

What is the SMILES notation for 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+)?

The canonical SMILES for 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+) is CC(c1cccc(-n2[c-]nc3ccccc32)n1)(c1ccnc(-n2[c-]nc3ccccc32)n1)C(F)(F)F.[Pt+2].

What is the InChIKey of 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+)?

The InChIKey is ILKKZKDRLSJIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F3N7.Pt/c1-25(26(27,28)29,21-11-6-12-23(33-21)35-15-31-17-7-2-4-9-19(17)35)22-13-14-30-24(34-22)36-16-32-18-8-3-5-10-20(18)36;/h2-14H,1H3;/q-2;+2.

What are the key properties of 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+)?

1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+) has a molecular weight of 678.54 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1-trifluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;platinum(2+) is sourced from PubChem (CID 58444707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).