1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+)

C21H19N4OPt+ — CID 153492589

About 1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+)

1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+) (PubChem CID 153492589) has the molecular formula C21H19N4OPt+ and a molecular weight of 538.49 g/mol. Its IUPAC name is 1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+).

Molecular Properties

• Compound Name: 1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+)
• PubChem CID: 153492589
• Molecular Formula: C21H19N4OPt+
• Molecular Weight: 538.49 g/mol
• Exact Mass: 538.12
• IUPAC Name: 1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+)
• SMILES: CC1=NC(c2[c-]c(Oc3[c-]c(-c4nccn4C)ccc3)ccc2)[N+](C)=C1.[Pt+2]
• InChI: InChI=1S/C21H19N4O.Pt/c1-15-14-25(3)21(23-15)17-7-5-9-19(13-17)26-18-8-4-6-16(12-18)20-22-10-11-24(20)2;/h4-11,14,21H,1-3H3;/q-1;+2
• InChIKey: XGIJQIPBKXJGNK-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 42.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.49
LogP ≤ 5	3.66
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 1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+)?

The IUPAC name of 1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+) (CID 153492589) is 1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+).

What is the SMILES notation for 1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+)?

The canonical SMILES for 1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+) is CC1=NC(c2[c-]c(Oc3[c-]c(-c4nccn4C)ccc3)ccc2)[N+](C)=C1.[Pt+2].

What is the InChIKey of 1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+)?

The InChIKey is XGIJQIPBKXJGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N4O.Pt/c1-15-14-25(3)21(23-15)17-7-5-9-19(13-17)26-18-8-4-6-16(12-18)20-22-10-11-24(20)2;/h4-11,14,21H,1-3H3;/q-1;+2.

What are the key properties of 1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+)?

1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+) has a molecular weight of 538.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+) is sourced from PubChem (CID 153492589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).