2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine

C137H112F8N15O5+5 — CID 159684618

About 2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine

2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 159684618) has the molecular formula C137H112F8N15O5+5 and a molecular weight of 2200.49 g/mol. Its IUPAC name is 2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 159684618
• Molecular Formula: C137H112F8N15O5+5
• Molecular Weight: 2200.49 g/mol
• Exact Mass: 2198.88
• IUPAC Name: 2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1cc2oc3nc(F)cc(F)c3c2cc1-c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1C.Cc1cc2oc3nc(F)cc(F)c3c2cc1-c1n(-c2ccccc2)cc[n+]1C.Cc1cc2oc3nc(F)cc(F)c3c2cc1-c1n(-c2ccccc2C(C)C)cc[n+]1C.Cc1cc2oc3nc(F)ccc3c2cc1-c1n(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc[n+]1C.Cc1cc2oc3nc(F)ccc3c2cc1-c1n(-c2ccccc2-c2ccccc2)cc[n+]1C
• InChI: InChI=1S/C34H25FN3O.C28H28F2N3O.C28H21FN3O.C25H22F2N3O.C22H16F2N3O/c1-22-20-30-29(27-16-17-31(35)36-33(27)39-30)21-28(22)34-37(2)18-19-38(34)32-25(23-10-5-3-6-11-23)14-9-15-26(32)24-12-7-4-8-13-24;1-15(2)18-8-7-9-19(16(3)4)26(18)33-11-10-32(6)28(33)20-13-21-23(12-17(20)5)34-27-25(21)22(29)14-24(30)31-27;1-18-16-25-23(21-12-13-26(29)30-27(21)33-25)17-22(18)28-31(2)14-15-32(28)24-11-7-6-10-20(24)19-8-4-3-5-9-19;1-14(2)16-7-5-6-8-20(16)30-10-9-29(4)25(30)17-12-18-21(11-15(17)3)31-24-23(18)19(26)13-22(27)28-24;1-13-10-18-16(20-17(23)12-19(24)25-21(20)28-18)11-15(13)22-26(2)8-9-27(22)14-6-4-3-5-7-14/h3-21H,1-2H3;7-16H,1-6H3;3-17H,1-2H3;5-14H,1-4H3;3-12H,1-2H3/q5*+1
• InChIKey: JKRZMULLRUWVIV-UHFFFAOYSA-N
• XLogP: 32.34
• TPSA: 174.20 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.49
LogP ≤ 5	32.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 159684618) is 2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine is Cc1cc2oc3nc(F)cc(F)c3c2cc1-c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1C.Cc1cc2oc3nc(F)cc(F)c3c2cc1-c1n(-c2ccccc2)cc[n+]1C.Cc1cc2oc3nc(F)cc(F)c3c2cc1-c1n(-c2ccccc2C(C)C)cc[n+]1C.Cc1cc2oc3nc(F)ccc3c2cc1-c1n(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc[n+]1C.Cc1cc2oc3nc(F)ccc3c2cc1-c1n(-c2ccccc2-c2ccccc2)cc[n+]1C.

What is the InChIKey of 2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is JKRZMULLRUWVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25FN3O.C28H28F2N3O.C28H21FN3O.C25H22F2N3O.C22H16F2N3O/c1-22-20-30-29(27-16-17-31(35)36-33(27)39-30)21-28(22)34-37(2)18-19-38(34)32-25(23-10-5-3-6-11-23)14-9-15-26(32)24-12-7-4-8-13-24;1-15(2)18-8-7-9-19(16(3)4)26(18)33-11-10-32(6)28(33)20-13-21-23(12-17(20)5)34-27-25(21)22(29)14-24(30)31-27;1-18-16-25-23(21-12-13-26(29)30-27(21)33-25)17-22(18)28-31(2)14-15-32(28)24-11-7-6-10-20(24)19-8-4-3-5-9-19;1-14(2)16-7-5-6-8-20(16)30-10-9-29(4)25(30)17-12-18-21(11-15(17)3)31-24-23(18)19(26)13-22(27)28-24;1-13-10-18-16(20-17(23)12-19(24)25-21(20)28-18)11-15(13)22-26(2)8-9-27(22)14-6-4-3-5-7-14/h3-21H,1-2H3;7-16H,1-6H3;3-17H,1-2H3;5-14H,1-4H3;3-12H,1-2H3/q5*+1.

What are the key properties of 2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 2200.49 g/mol, XLogP of 32.34, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-7-methyl-6-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-6-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;6-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-7-methyl-6-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159684618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).