2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum

C22H22N4O2Pt-2 — CID 58401732

About 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum

2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum (PubChem CID 58401732) has the molecular formula C22H22N4O2Pt-2 and a molecular weight of 569.52 g/mol. Its IUPAC name is 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum.

Molecular Properties

• Compound Name: 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
• PubChem CID: 58401732
• Molecular Formula: C22H22N4O2Pt-2
• Molecular Weight: 569.52 g/mol
• Exact Mass: 569.14
• IUPAC Name: 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
• SMILES: COc1ccc[c-]c1-c1[n-]cc[n+]1C.Cn1ccnc1-c1[c-]cccc1CO.[Pt]
• InChI: InChI=1S/2C11H11N2O.Pt/c1-13-8-7-12-11(13)9-5-3-4-6-10(9)14-2;1-13-7-6-12-11(13)10-5-3-2-4-9(10)8-14;/h3-4,6-8H,1-2H3;2-4,6-7,14H,8H2,1H3;/q2*-1
• InChIKey: QYUSASXYIXHDCS-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 65.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.52
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
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 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum?

The IUPAC name of 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum (CID 58401732) is 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum.

What is the SMILES notation for 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum?

The canonical SMILES for 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum is COc1ccc[c-]c1-c1[n-]cc[n+]1C.Cn1ccnc1-c1[c-]cccc1CO.[Pt].

What is the InChIKey of 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum?

The InChIKey is QYUSASXYIXHDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11N2O.Pt/c1-13-8-7-12-11(13)9-5-3-4-6-10(9)14-2;1-13-7-6-12-11(13)10-5-3-2-4-9(10)8-14;/h3-4,6-8H,1-2H3;2-4,6-7,14H,8H2,1H3;/q2*-1;.

What are the key properties of 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum?

2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum has a molecular weight of 569.52 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum is sourced from PubChem (CID 58401732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).