2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+)

C28H22N4O2Pt — CID 162492051

About 2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+)

2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+) (PubChem CID 162492051) has the molecular formula C28H22N4O2Pt and a molecular weight of 641.59 g/mol. Its IUPAC name is 2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+)
• PubChem CID: 162492051
• Molecular Formula: C28H22N4O2Pt
• Molecular Weight: 641.59 g/mol
• Exact Mass: 641.14
• IUPAC Name: 2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+)
• SMILES: Cc1cn2c(n1)-c1[c-]c(Oc3[c-]c4c(c(C)c3)OCn3c-4nc4ccccc43)cc(C)c1CC2.[Pt+2]
• InChI: InChI=1S/C28H22N4O2.Pt/c1-16-10-19(12-22-21(16)8-9-31-14-18(3)29-27(22)31)34-20-11-17(2)26-23(13-20)28-30-24-6-4-5-7-25(24)32(28)15-33-26;/h4-7,10-11,14H,8-9,15H2,1-3H3;/q-2;+2
• InChIKey: LVGDQCPDYXWMQE-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.59
LogP ≤ 5	5.79
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 2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+)?

The IUPAC name of 2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+) (CID 162492051) is 2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+).

What is the SMILES notation for 2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+)?

The canonical SMILES for 2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+) is Cc1cn2c(n1)-c1[c-]c(Oc3[c-]c4c(c(C)c3)OCn3c-4nc4ccccc43)cc(C)c1CC2.[Pt+2].

What is the InChIKey of 2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+)?

The InChIKey is LVGDQCPDYXWMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2.Pt/c1-16-10-19(12-22-21(16)8-9-31-14-18(3)29-27(22)31)34-20-11-17(2)26-23(13-20)28-30-24-6-4-5-7-25(24)32(28)15-33-26;/h4-7,10-11,14H,8-9,15H2,1-3H3;/q-2;+2.

What are the key properties of 2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+)?

2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+) has a molecular weight of 641.59 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-4-methyl-1,6-dihydrobenzimidazolo[1,2-c][1,3]benzoxazin-1-ide;platinum(2+) is sourced from PubChem (CID 162492051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).