3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum

C26H17N5OPt-2 — CID 162492202

About 3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum

3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum (PubChem CID 162492202) has the molecular formula C26H17N5OPt-2 and a molecular weight of 610.53 g/mol. Its IUPAC name is 3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum.

Molecular Properties

• Compound Name: 3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum
• PubChem CID: 162492202
• Molecular Formula: C26H17N5OPt-2
• Molecular Weight: 610.53 g/mol
• Exact Mass: 610.11
• IUPAC Name: 3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum
• SMILES: [C-]#[N+]c1cnc2n1CCc1ccc(Oc3[c-]c(-n4[c-][n+](C)c5ccccc54)ccc3)[c-]c1-2.[Pt]
• InChI: InChI=1S/C26H17N5O.Pt/c1-27-25-16-28-26-22-15-21(11-10-18(22)12-13-30(25)26)32-20-7-5-6-19(14-20)31-17-29(2)23-8-3-4-9-24(23)31;/h3-11,16H,12-13H2,2H3;/q-2
• InChIKey: GLNMIRLNVTUZQE-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 40.22 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.53
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	0
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 3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum?

The IUPAC name of 3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum (CID 162492202) is 3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum.

What is the SMILES notation for 3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum?

The canonical SMILES for 3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum is [C-]#[N+]c1cnc2n1CCc1ccc(Oc3[c-]c(-n4[c-][n+](C)c5ccccc54)ccc3)[c-]c1-2.[Pt].

What is the InChIKey of 3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum?

The InChIKey is GLNMIRLNVTUZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N5O.Pt/c1-27-25-16-28-26-22-15-21(11-10-18(22)12-13-30(25)26)32-20-7-5-6-19(14-20)31-17-29(2)23-8-3-4-9-24(23)31;/h3-11,16H,12-13H2,2H3;/q-2;.

What are the key properties of 3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum?

3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum has a molecular weight of 610.53 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-isocyano-9-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum is sourced from PubChem (CID 162492202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).