6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium

C133H108N14O6+8 — CID 157482749

About 6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium

6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium (PubChem CID 157482749) has the molecular formula C133H108N14O6+8 and a molecular weight of 1998.42 g/mol. Its IUPAC name is 6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium.

Molecular Properties

• Compound Name: 6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium
• PubChem CID: 157482749
• Molecular Formula: C133H108N14O6+8
• Molecular Weight: 1998.42 g/mol
• Exact Mass: 1996.85
• IUPAC Name: 6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium
• SMILES: Cc1c(-c2cccc[n+]2C)c2oc3ccccc3c2c2ccncc12.Cc1c(-c2cccc[n+]2C)c2oc3ccccc3c2c2cnccc12.Cc1c(-c2cccc[n+]2C)c2oc3ccccc3c2c2ncccc12.Cc1cccn1-c1c2oc3ccccc3c2c2ccccc2[n+]1C.Cn1c(-c2c3oc4ccccc4c3c3ccccc3[n+]2C)[n+](C)c2ccccc21.Cn1cc[n+](C)c1-c1c2oc3ccccc3c2c2ccccc2[n+]1C
• InChI: InChI=1S/C25H21N3O.3C22H17N2O.C21H19N3O.C21H17N2O/c1-26-18-12-6-4-10-16(18)22-17-11-5-9-15-21(17)29-24(22)23(26)25-27(2)19-13-7-8-14-20(19)28(25)3;1-14-15-9-7-12-23-21(15)20-16-8-3-4-11-18(16)25-22(20)19(14)17-10-5-6-13-24(17)2;1-14-17-13-23-11-10-15(17)21-16-7-3-4-9-19(16)25-22(21)20(14)18-8-5-6-12-24(18)2;1-14-15-10-11-23-13-17(15)21-16-7-3-4-9-19(16)25-22(21)20(14)18-8-5-6-12-24(18)2;1-22-12-13-23(2)21(22)19-20-18(15-9-5-7-11-17(15)25-20)14-8-4-6-10-16(14)24(19)3;1-14-8-7-13-23(14)21-20-19(16-10-4-6-12-18(16)24-20)15-9-3-5-11-17(15)22(21)2/h4-15H,1-3H3;3*3-13H,1-2H3;4-13H,1-3H3;3-13H,1-2H3/q+2;3*+1;+2;+1
• InChIKey: TWLNGSRFAOSUJM-UHFFFAOYSA-N
• XLogP: 27.41
• TPSA: 163.34 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1998.42
LogP ≤ 5	27.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium?

The IUPAC name of 6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium (CID 157482749) is 6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium.

What is the SMILES notation for 6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium?

The canonical SMILES for 6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium is Cc1c(-c2cccc[n+]2C)c2oc3ccccc3c2c2ccncc12.Cc1c(-c2cccc[n+]2C)c2oc3ccccc3c2c2cnccc12.Cc1c(-c2cccc[n+]2C)c2oc3ccccc3c2c2ncccc12.Cc1cccn1-c1c2oc3ccccc3c2c2ccccc2[n+]1C.Cn1c(-c2c3oc4ccccc4c3c3ccccc3[n+]2C)[n+](C)c2ccccc21.Cn1cc[n+](C)c1-c1c2oc3ccccc3c2c2ccccc2[n+]1C.

What is the InChIKey of 6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium?

The InChIKey is TWLNGSRFAOSUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O.3C22H17N2O.C21H19N3O.C21H17N2O/c1-26-18-12-6-4-10-16(18)22-17-11-5-9-15-21(17)29-24(22)23(26)25-27(2)19-13-7-8-14-20(19)28(25)3;1-14-15-9-7-12-23-21(15)20-16-8-3-4-11-18(16)25-22(20)19(14)17-10-5-6-13-24(17)2;1-14-17-13-23-11-10-15(17)21-16-7-3-4-9-19(16)25-22(21)20(14)18-8-5-6-12-24(18)2;1-14-15-10-11-23-13-17(15)21-16-7-3-4-9-19(16)25-22(21)20(14)18-8-5-6-12-24(18)2;1-22-12-13-23(2)21(22)19-20-18(15-9-5-7-11-17(15)25-20)14-8-4-6-10-16(14)24(19)3;1-14-8-7-13-23(14)21-20-19(16-10-4-6-12-18(16)24-20)15-9-3-5-11-17(15)22(21)2/h4-15H,1-3H3;3*3-13H,1-2H3;4-13H,1-3H3;3-13H,1-2H3/q+2;3*+1;+2;+1.

What are the key properties of 6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium?

6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium has a molecular weight of 1998.42 g/mol, XLogP of 27.41, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,3-dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium is sourced from PubChem (CID 157482749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).