8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline

C105H92N14O5S+4 — CID 158653619

About 8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline

8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline (PubChem CID 158653619) has the molecular formula C105H92N14O5S+4 and a molecular weight of 1662.05 g/mol. Its IUPAC name is 8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline.

Molecular Properties

• Compound Name: 8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline
• PubChem CID: 158653619
• Molecular Formula: C105H92N14O5S+4
• Molecular Weight: 1662.05 g/mol
• Exact Mass: 1660.71
• IUPAC Name: 8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline
• SMILES: C.C.Cc1ccc2c(oc3ncc4ccccc4c32)c1-c1cccn[n+]1C.Cc1ccc2c(oc3ncc4ccccc4c32)c1-c1n(C)cc[n+]1C.Cc1ccc2c(oc3ncc4ccccc4c32)c1-c1scc[n+]1C.Cc1ccc2c(oc3ncc4ccccc4c32)c1-n1ccc[n+]1C.Cc1ccc2c(oc3ncc4ccccc4c32)c1N1C=CN(C)[C@@H]1C
• InChI: InChI=1S/C21H18N3O.C21H19N3O.C21H16N3O.C20H16N3O.C20H15N2OS.2CH4/c1-13-8-9-16-18-15-7-5-4-6-14(15)12-22-20(18)25-19(16)17(13)21-23(2)10-11-24(21)3;1-13-8-9-17-18-16-7-5-4-6-15(16)12-22-21(18)25-20(17)19(13)24-11-10-23(3)14(24)2;1-13-9-10-16-19-15-7-4-3-6-14(15)12-22-21(19)25-20(16)18(13)17-8-5-11-23-24(17)2;1-13-8-9-16-17-15-7-4-3-6-14(15)12-21-20(17)24-19(16)18(13)23-11-5-10-22(23)2;1-12-7-8-15-17-14-6-4-3-5-13(14)11-21-19(17)23-18(15)16(12)20-22(2)9-10-24-20;;/h4-12H,1-3H3;4-12,14H,1-3H3;3-12H,1-2H3;3-12H,1-2H3;3-11H,1-2H3;2*1H4/q+1;;3*+1;;/t;14-;;;;;/m.0...../s1
• InChIKey: BWIXZZDKRGCJQK-LETGLXPESA-N
• XLogP: 23.94
• TPSA: 174.90 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1662.05
LogP ≤ 5	23.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline?

The IUPAC name of 8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline (CID 158653619) is 8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline.

What is the SMILES notation for 8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline?

The canonical SMILES for 8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline is C.C.Cc1ccc2c(oc3ncc4ccccc4c32)c1-c1cccn[n+]1C.Cc1ccc2c(oc3ncc4ccccc4c32)c1-c1n(C)cc[n+]1C.Cc1ccc2c(oc3ncc4ccccc4c32)c1-c1scc[n+]1C.Cc1ccc2c(oc3ncc4ccccc4c32)c1-n1ccc[n+]1C.Cc1ccc2c(oc3ncc4ccccc4c32)c1N1C=CN(C)[C@@H]1C.

What is the InChIKey of 8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline?

The InChIKey is BWIXZZDKRGCJQK-LETGLXPESA-N. The full InChI is InChI=1S/C21H18N3O.C21H19N3O.C21H16N3O.C20H16N3O.C20H15N2OS.2CH4/c1-13-8-9-16-18-15-7-5-4-6-14(15)12-22-20(18)25-19(16)17(13)21-23(2)10-11-24(21)3;1-13-8-9-17-18-16-7-5-4-6-15(16)12-22-21(18)25-20(17)19(13)24-11-10-23(3)14(24)2;1-13-9-10-16-19-15-7-4-3-6-14(15)12-22-21(19)25-20(16)18(13)17-8-5-11-23-24(17)2;1-13-8-9-16-17-15-7-4-3-6-14(15)12-21-20(17)24-19(16)18(13)23-11-5-10-22(23)2;1-12-7-8-15-17-14-6-4-3-5-13(14)11-21-19(17)23-18(15)16(12)20-22(2)9-10-24-20;;/h4-12H,1-3H3;4-12,14H,1-3H3;3-12H,1-2H3;3-12H,1-2H3;3-11H,1-2H3;2*1H4/q+1;;3*+1;;/t;14-;;;;;/m.0...../s1.

What are the key properties of 8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline?

8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline has a molecular weight of 1662.05 g/mol, XLogP of 23.94, 5 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,3-dimethylimidazol-1-ium-2-yl)-9-methyl-[1]benzofuro[2,3-c]isoquinoline;8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-9-methyl-[1]benzofuro[2,3-c]isoquinoline;methane;9-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline is sourced from PubChem (CID 158653619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).