2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum

C24H26N4O4Pt-2 — CID 58401401

About 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum

2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum (PubChem CID 58401401) has the molecular formula C24H26N4O4Pt-2 and a molecular weight of 629.57 g/mol. Its IUPAC name is 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum.

Molecular Properties

• Compound Name: 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
• PubChem CID: 58401401
• Molecular Formula: C24H26N4O4Pt-2
• Molecular Weight: 629.57 g/mol
• Exact Mass: 629.16
• IUPAC Name: 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
• SMILES: COc1c[c-]c(-c2[n-]cc[n+]2C)c(OC)c1.COc1c[c-]c(-c2nccn2C)c(CO)c1.[Pt]
• InChI: InChI=1S/2C12H13N2O2.Pt/c1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;1-14-6-5-13-12(14)11-4-3-10(16-2)7-9(11)8-15;/h4,6-8H,1-3H3;3,5-7,15H,8H2,1-2H3;/q2*-1
• InChIKey: YXBGRYJNIOAFRR-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 83.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.57
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum?

The IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum (CID 58401401) is 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum.

What is the SMILES notation for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum?

The canonical SMILES for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum is COc1c[c-]c(-c2[n-]cc[n+]2C)c(OC)c1.COc1c[c-]c(-c2nccn2C)c(CO)c1.[Pt].

What is the InChIKey of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum?

The InChIKey is YXBGRYJNIOAFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N2O2.Pt/c1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;1-14-6-5-13-12(14)11-4-3-10(16-2)7-9(11)8-15;/h4,6-8H,1-3H3;3,5-7,15H,8H2,1-2H3;/q2*-1;.

What are the key properties of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum?

2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum has a molecular weight of 629.57 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum is sourced from PubChem (CID 58401401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).