3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine

C102H89N15O3+4 — CID 157110433

About 3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine

3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 157110433) has the molecular formula C102H89N15O3+4 and a molecular weight of 1572.94 g/mol. Its IUPAC name is 3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 157110433
• Molecular Formula: C102H89N15O3+4
• Molecular Weight: 1572.94 g/mol
• Exact Mass: 1571.73
• IUPAC Name: 3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine
• SMILES: Cc1c(-c2nc3cccc(C)c3n2C)cccc1-c1cccc[n+]1C.Cc1c(-c2nc3ccccc3n2C)cc2oc3cnccc3c2c1-c1cccc[n+]1C.Cc1cc2c(cn1)oc1c(-c3cccc[n+]3C)c(C)c(-c3nc4ccccc4n3C)cc12.Cc1cc2oc3cc(-c4nc5ccccc5n4C)c(C)c(-c4cccc[n+]4C)c3c2cn1
• InChI: InChI=1S/2C27H23N4O.C26H21N4O.C22H22N3/c1-16-13-23-19(15-28-16)26-24(32-23)14-18(17(2)25(26)22-11-7-8-12-30(22)3)27-29-20-9-5-6-10-21(20)31(27)4;1-16-13-19-20-14-18(27-29-21-9-5-6-10-22(21)31(27)4)17(2)25(23-11-7-8-12-30(23)3)26(20)32-24(19)15-28-16;1-16-18(26-28-19-8-4-5-9-20(19)30(26)3)14-22-25(17-11-12-27-15-23(17)31-22)24(16)21-10-6-7-13-29(21)2;1-15-9-7-12-19-21(15)25(4)22(23-19)18-11-8-10-17(16(18)2)20-13-5-6-14-24(20)3/h2*5-15H,1-4H3;4-15H,1-3H3;5-14H,1-4H3/q4*+1
• InChIKey: FTHJCYIBGXHNJR-UHFFFAOYSA-N
• XLogP: 20.97
• TPSA: 164.89 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1572.94
LogP ≤ 5	20.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine (CID 157110433) is 3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine is Cc1c(-c2nc3cccc(C)c3n2C)cccc1-c1cccc[n+]1C.Cc1c(-c2nc3ccccc3n2C)cc2oc3cnccc3c2c1-c1cccc[n+]1C.Cc1cc2c(cn1)oc1c(-c3cccc[n+]3C)c(C)c(-c3nc4ccccc4n3C)cc12.Cc1cc2oc3cc(-c4nc5ccccc5n4C)c(C)c(-c4cccc[n+]4C)c3c2cn1.

What is the InChIKey of 3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine?

The InChIKey is FTHJCYIBGXHNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H23N4O.C26H21N4O.C22H22N3/c1-16-13-23-19(15-28-16)26-24(32-23)14-18(17(2)25(26)22-11-7-8-12-30(22)3)27-29-20-9-5-6-10-21(20)31(27)4;1-16-13-19-20-14-18(27-29-21-9-5-6-10-22(21)31(27)4)17(2)25(23-11-7-8-12-30(23)3)26(20)32-24(19)15-28-16;1-16-18(26-28-19-8-4-5-9-20(19)30(26)3)14-22-25(17-11-12-27-15-23(17)31-22)24(16)21-10-6-7-13-29(21)2;1-15-9-7-12-19-21(15)25(4)22(23-19)18-11-8-10-17(16(18)2)20-13-5-6-14-24(20)3/h2*5-15H,1-4H3;4-15H,1-3H3;5-14H,1-4H3/q4*+1.

What are the key properties of 3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine?

3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 1572.94 g/mol, XLogP of 20.97, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7-dimethyl-6-(1-methylbenzimidazol-2-yl)-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;3,8-dimethyl-7-(1-methylbenzimidazol-2-yl)-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;1,7-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]benzimidazole;6-methyl-7-(1-methylbenzimidazol-2-yl)-5-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 157110433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).