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

C29H20N4OPt-2 — CID 162492145

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

2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;platinum (PubChem CID 162492145) has the molecular formula C29H20N4OPt-2 and a molecular weight of 635.58 g/mol. Its IUPAC name is 2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;platinum
• PubChem CID: 162492145
• Molecular Formula: C29H20N4OPt-2
• Molecular Weight: 635.58 g/mol
• Exact Mass: 635.13
• IUPAC Name: 2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;platinum
• SMILES: C[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)CCn3c-4nc4ccccc43)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C29H20N4O.Pt/c1-31-19-33(28-12-5-4-11-27(28)31)21-7-6-8-22(17-21)34-23-14-13-20-15-16-32-26-10-3-2-9-25(26)30-29(32)24(20)18-23;/h2-14H,15-16H2,1H3;/q-2
• InChIKey: IDUIZLCMVKTPIH-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.58
LogP ≤ 5	5.22
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 2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;platinum?

The IUPAC name of 2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;platinum (CID 162492145) is 2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;platinum.

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

The canonical SMILES for 2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;platinum is C[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)CCn3c-4nc4ccccc43)ccc2)c2ccccc21.[Pt].

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

The InChIKey is IDUIZLCMVKTPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O.Pt/c1-31-19-33(28-12-5-4-11-27(28)31)21-7-6-8-22(17-21)34-23-14-13-20-15-16-32-26-10-3-2-9-25(26)30-29(32)24(20)18-23;/h2-14H,15-16H2,1H3;/q-2;.

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

2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;platinum has a molecular weight of 635.58 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;platinum is sourced from PubChem (CID 162492145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).