2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine

C125H120N15O5+5 — CID 157416061

About 2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine

2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 157416061) has the molecular formula C125H120N15O5+5 and a molecular weight of 1912.43 g/mol. Its IUPAC name is 2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 157416061
• Molecular Formula: C125H120N15O5+5
• Molecular Weight: 1912.43 g/mol
• Exact Mass: 1910.96
• IUPAC Name: 2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3n(-c4ccccc4)cc[n+]3C)c(C)ccc12.Cc1ccc2c(n1)oc1c(-c3n(-c4ccccc4C(C)C)cc[n+]3C)c(C)ccc12.Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1n(-c2ccccc2)cc[n+]1C.Cc1ccc2c(oc3nc(CC(C)C)ccc32)c1-c1n(-c2ccccc2)cc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1n(-c2ccccc2C(C)C)cc[n+]1C
• InChI: InChI=1S/2C26H26N3O.2C25H24N3O.C23H20N3O/c1-16(2)19-8-6-7-9-22(19)29-15-14-28(5)26(29)23-17(3)10-12-20-21-13-11-18(4)27-25(21)30-24(20)23;1-17(2)16-19-11-13-22-21-12-10-18(3)23(24(21)30-25(22)27-19)26-28(4)14-15-29(26)20-8-6-5-7-9-20;1-16(2)18-8-5-6-10-21(18)28-15-14-27(4)25(28)22-17(3)11-12-19-20-9-7-13-26-24(20)29-23(19)22;1-16(2)21-13-12-20-19-11-10-17(3)22(23(19)29-24(20)26-21)25-27(4)14-15-28(25)18-8-6-5-7-9-18;1-15-9-11-18-19-12-10-16(2)24-22(19)27-21(18)20(15)23-25(3)13-14-26(23)17-7-5-4-6-8-17/h6-16H,1-5H3;5-15,17H,16H2,1-4H3;2*5-16H,1-4H3;4-14H,1-3H3/q5*+1
• InChIKey: DPHRQIBIPYWFCI-UHFFFAOYSA-N
• XLogP: 28.04
• TPSA: 174.20 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1912.43
LogP ≤ 5	28.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 157416061) is 2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3n(-c4ccccc4)cc[n+]3C)c(C)ccc12.Cc1ccc2c(n1)oc1c(-c3n(-c4ccccc4C(C)C)cc[n+]3C)c(C)ccc12.Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1n(-c2ccccc2)cc[n+]1C.Cc1ccc2c(oc3nc(CC(C)C)ccc32)c1-c1n(-c2ccccc2)cc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1n(-c2ccccc2C(C)C)cc[n+]1C.

What is the InChIKey of 2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is DPHRQIBIPYWFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26N3O.2C25H24N3O.C23H20N3O/c1-16(2)19-8-6-7-9-22(19)29-15-14-28(5)26(29)23-17(3)10-12-20-21-13-11-18(4)27-25(21)30-24(20)23;1-17(2)16-19-11-13-22-21-12-10-18(3)23(24(21)30-25(22)27-19)26-28(4)14-15-29(26)20-8-6-5-7-9-20;1-16(2)18-8-5-6-10-21(18)28-15-14-27(4)25(28)22-17(3)11-12-19-20-9-7-13-26-24(20)29-23(19)22;1-16(2)21-13-12-20-19-11-10-17(3)22(23(19)29-24(20)26-21)25-27(4)14-15-28(25)18-8-6-5-7-9-18;1-15-9-11-18-19-12-10-16(2)24-22(19)27-21(18)20(15)23-25(3)13-14-26(23)17-7-5-4-6-8-17/h6-16H,1-5H3;5-15,17H,16H2,1-4H3;2*5-16H,1-4H3;4-14H,1-3H3/q5*+1.

What are the key properties of 2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1912.43 g/mol, XLogP of 28.04, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 157416061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).