9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum

C20H15N5OPt-2 — CID 162492060

About 9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum

9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum (PubChem CID 162492060) has the molecular formula C20H15N5OPt-2 and a molecular weight of 536.45 g/mol. Its IUPAC name is 9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum.

Molecular Properties

• Compound Name: 9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum
• PubChem CID: 162492060
• Molecular Formula: C20H15N5OPt-2
• Molecular Weight: 536.45 g/mol
• Exact Mass: 536.09
• IUPAC Name: 9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum
• SMILES: C[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)NCn3ccnc3-4)ccc2)cc1.[Pt]
• InChI: InChI=1S/C20H15N5O.Pt/c1-23-9-10-25(14-23)15-3-2-4-16(11-15)26-17-5-6-19-18(12-17)20-21-7-8-24(20)13-22-19;/h2-10,22H,13H2,1H3;/q-2
• InChIKey: QYUKDIBJUGDWTH-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 47.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.45
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum?

The IUPAC name of 9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum (CID 162492060) is 9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum.

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

The canonical SMILES for 9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum is C[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)NCn3ccnc3-4)ccc2)cc1.[Pt].

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

The InChIKey is QYUKDIBJUGDWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O.Pt/c1-23-9-10-25(14-23)15-3-2-4-16(11-15)26-17-5-6-19-18(12-17)20-21-7-8-24(20)13-22-19;/h2-10,22H,13H2,1H3;/q-2;.

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

9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum has a molecular weight of 536.45 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum is sourced from PubChem (CID 162492060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).