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

C24H26N4O4Pt — CID 58401558

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

4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+) (PubChem CID 58401558) has the molecular formula C24H26N4O4Pt and a molecular weight of 629.57 g/mol. Its IUPAC name is 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+).

Molecular Properties

• Compound Name: 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)
• PubChem CID: 58401558
• Molecular Formula: C24H26N4O4Pt
• Molecular Weight: 629.57 g/mol
• Exact Mass: 629.16
• IUPAC Name: 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)
• SMILES: COc1c[c-]c(-c2cn(C)cn2)c(CO)c1.COc1c[c-]c(-c2cn(C)cn2)c(OC)c1.[Pt+2]
• InChI: InChI=1S/2C12H13N2O2.Pt/c1-14-7-11(13-8-14)10-5-4-9(15-2)6-12(10)16-3;1-14-6-12(13-8-14)11-4-3-10(16-2)5-9(11)7-15;/h4,6-8H,1-3H3;3,5-6,8,15H,7H2,1-2H3;/q2*-1;+2
• InChIKey: RRGMDKYTLXKYJW-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 83.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.57
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)?

The IUPAC name of 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+) (CID 58401558) is 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+).

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

The canonical SMILES for 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+) is COc1c[c-]c(-c2cn(C)cn2)c(CO)c1.COc1c[c-]c(-c2cn(C)cn2)c(OC)c1.[Pt+2].

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

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

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

4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+) has a molecular weight of 629.57 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+) is sourced from PubChem (CID 58401558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).