1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+)

C23H26N5Pt+ — CID 59661517

About 1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+)

1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+) (PubChem CID 59661517) has the molecular formula C23H26N5Pt+ and a molecular weight of 567.57 g/mol. Its IUPAC name is 1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+).

Molecular Properties

• Compound Name: 1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+)
• PubChem CID: 59661517
• Molecular Formula: C23H26N5Pt+
• Molecular Weight: 567.57 g/mol
• Exact Mass: 567.18
• IUPAC Name: 1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+)
• SMILES: Cc1ccc[c-]c1-c1ncn(C)c1C.Cc1ccc[c-]c1-n1nc[n+](C)c1C.[Pt+2]
• InChI: InChI=1S/C12H13N2.C11H13N3.Pt/c1-9-6-4-5-7-11(9)12-10(2)14(3)8-13-12;1-9-6-4-5-7-11(9)14-10(2)13(3)8-12-14;/h2*4-6,8H,1-3H3;/q-1;;+2
• InChIKey: KXXUPCVZVCMIDV-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 39.52 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.57
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+)?

The IUPAC name of 1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+) (CID 59661517) is 1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+).

What is the SMILES notation for 1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+)?

The canonical SMILES for 1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+) is Cc1ccc[c-]c1-c1ncn(C)c1C.Cc1ccc[c-]c1-n1nc[n+](C)c1C.[Pt+2].

What is the InChIKey of 1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+)?

The InChIKey is KXXUPCVZVCMIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2.C11H13N3.Pt/c1-9-6-4-5-7-11(9)12-10(2)14(3)8-13-12;1-9-6-4-5-7-11(9)14-10(2)13(3)8-12-14;/h2*4-6,8H,1-3H3;/q-1;;+2.

What are the key properties of 1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+)?

1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+) has a molecular weight of 567.57 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole;4,5-dimethyl-1-(2-methylbenzene-6-id-1-yl)-1,2,4-triazol-4-ium;platinum(2+) is sourced from PubChem (CID 59661517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).