1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+)

C32H28N4Pt — CID 58004253

About 1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+)

1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+) (PubChem CID 58004253) has the molecular formula C32H28N4Pt and a molecular weight of 663.68 g/mol. Its IUPAC name is 1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+)
• PubChem CID: 58004253
• Molecular Formula: C32H28N4Pt
• Molecular Weight: 663.68 g/mol
• Exact Mass: 663.20
• IUPAC Name: 1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+)
• SMILES: Cc1cc(-c2[c-]c3ccccc3n2C)[c-]c(-c2nc3c(C(C)(C)c4ccccn4)cccc3n2C)c1.[Pt+2]
• InChI: InChI=1S/C32H28N4.Pt/c1-21-17-23(28-20-22-11-6-7-13-26(22)35(28)4)19-24(18-21)31-34-30-25(12-10-14-27(30)36(31)5)32(2,3)29-15-8-9-16-33-29;/h6-18H,1-5H3;/q-2;+2
• InChIKey: GTUUWRUUGIXNHT-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.68
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+)?

The IUPAC name of 1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+) (CID 58004253) is 1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+).

What is the SMILES notation for 1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+)?

The canonical SMILES for 1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+) is Cc1cc(-c2[c-]c3ccccc3n2C)[c-]c(-c2nc3c(C(C)(C)c4ccccn4)cccc3n2C)c1.[Pt+2].

What is the InChIKey of 1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+)?

The InChIKey is GTUUWRUUGIXNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4.Pt/c1-21-17-23(28-20-22-11-6-7-13-26(22)35(28)4)19-24(18-21)31-34-30-25(12-10-14-27(30)36(31)5)32(2,3)29-15-8-9-16-33-29;/h6-18H,1-5H3;/q-2;+2.

What are the key properties of 1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+)?

1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+) has a molecular weight of 663.68 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-[3-methyl-5-(1-methyl-3H-indol-3-id-2-yl)benzene-6-id-1-yl]-4-(2-pyridin-2-ylpropan-2-yl)benzimidazole;platinum(2+) is sourced from PubChem (CID 58004253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).