8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum

C32H30N5OPt-3 — CID 155633512

About 8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum

8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum (PubChem CID 155633512) has the molecular formula C32H30N5OPt-3 and a molecular weight of 695.70 g/mol. Its IUPAC name is 8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum.

Molecular Properties

• Compound Name: 8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum
• PubChem CID: 155633512
• Molecular Formula: C32H30N5OPt-3
• Molecular Weight: 695.70 g/mol
• Exact Mass: 695.21
• IUPAC Name: 8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum
• SMILES: Cc1nc2c(-c3cc(C(C)(C)C)ccn3)[c-]c(Oc3[c-]c(N4[CH-]N(C)c5ccccc54)ccc3)cn2c1C.[Pt]
• InChI: InChI=1S/C32H30N5O.Pt/c1-21-22(2)36-19-26(18-27(31(36)34-21)28-16-23(14-15-33-28)32(3,4)5)38-25-11-9-10-24(17-25)37-20-35(6)29-12-7-8-13-30(29)37;/h7-16,19-20H,1-6H3;/q-3
• InChIKey: MMEALQHKNIBCJL-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 45.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.70
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum?

The IUPAC name of 8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum (CID 155633512) is 8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum.

What is the SMILES notation for 8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum?

The canonical SMILES for 8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum is Cc1nc2c(-c3cc(C(C)(C)C)ccn3)[c-]c(Oc3[c-]c(N4[CH-]N(C)c5ccccc54)ccc3)cn2c1C.[Pt].

What is the InChIKey of 8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum?

The InChIKey is MMEALQHKNIBCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N5O.Pt/c1-21-22(2)36-19-26(18-27(31(36)34-21)28-16-23(14-15-33-28)32(3,4)5)38-25-11-9-10-24(17-25)37-20-35(6)29-12-7-8-13-30(29)37;/h7-16,19-20H,1-6H3;/q-3;.

What are the key properties of 8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum?

8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum has a molecular weight of 695.70 g/mol, XLogP of 7.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-6-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum is sourced from PubChem (CID 155633512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).