1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+)

C22H22N4OPt — CID 164816533

About 1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+)

1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+) (PubChem CID 164816533) has the molecular formula C22H22N4OPt and a molecular weight of 553.52 g/mol. Its IUPAC name is 1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+).

Molecular Properties

• Compound Name: 1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+)
• PubChem CID: 164816533
• Molecular Formula: C22H22N4OPt
• Molecular Weight: 553.52 g/mol
• Exact Mass: 553.14
• IUPAC Name: 1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+)
• SMILES: Cc1cc(Oc2[c-]c(N3C=CN(C)[CH-]3)cc(C)c2)[c-]c(N2C=CN(C)[CH-]2)c1.[Pt+4]
• InChI: InChI=1S/C22H22N4O.Pt/c1-17-9-19(25-7-5-23(3)15-25)13-21(11-17)27-22-12-18(2)10-20(14-22)26-8-6-24(4)16-26;/h5-12,15-16H,1-4H3;/q-4;+4
• InChIKey: DUGUQLNZDJRUGW-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 22.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.52
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+)?

The IUPAC name of 1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+) (CID 164816533) is 1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+).

What is the SMILES notation for 1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+)?

The canonical SMILES for 1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+) is Cc1cc(Oc2[c-]c(N3C=CN(C)[CH-]3)cc(C)c2)[c-]c(N2C=CN(C)[CH-]2)c1.[Pt+4].

What is the InChIKey of 1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+)?

The InChIKey is DUGUQLNZDJRUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.Pt/c1-17-9-19(25-7-5-23(3)15-25)13-21(11-17)27-22-12-18(2)10-20(14-22)26-8-6-24(4)16-26;/h5-12,15-16H,1-4H3;/q-4;+4.

What are the key properties of 1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+)?

1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+) has a molecular weight of 553.52 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[3-methyl-5-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2H-imidazol-2-ide;platinum(4+) is sourced from PubChem (CID 164816533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).