2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine

C111H128N18O5S+4 — CID 159566756

About 2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine

2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 159566756) has the molecular formula C111H128N18O5S+4 and a molecular weight of 1826.43 g/mol. Its IUPAC name is 2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 159566756
• Molecular Formula: C111H128N18O5S+4
• Molecular Weight: 1826.43 g/mol
• Exact Mass: 1825.00
• IUPAC Name: 2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1ccc(C)c(C(C)(C)N3C=CN(c4c[n+](C(C)C)c(C)n4C)[C@H]3C)c12.Cc1ccc2c(n1)oc1ccc(C)c(C(C)(C)N3C=CN(c4cc[n+](C(C)C)n4C)[C@H]3C)c12.Cc1ccc2c(n1)oc1ccc(C)c(C(C)(C)N3C=CN(c4oc5ccccc5[n+]4C)[C@H]3C)c12.Cc1ccc2c(n1)oc1ccc(C)c(C(C)(C)N3C=CN(c4sc5ccccc5[n+]4C)[C@H]3C)c12
• InChI: InChI=1S/C28H36N5O.C28H29N4O2.C28H29N4OS.C27H34N5O/c1-17(2)32-16-24(30(9)20(32)5)31-14-15-33(21(31)6)28(7,8)26-18(3)10-13-23-25(26)22-12-11-19(4)29-27(22)34-23;1-17-11-14-23-24(20-13-12-18(2)29-26(20)33-23)25(17)28(4,5)32-16-15-31(19(32)3)27-30(6)21-9-7-8-10-22(21)34-27;1-17-11-14-22-24(20-13-12-18(2)29-26(20)33-22)25(17)28(4,5)32-16-15-31(19(32)3)27-30(6)21-9-7-8-10-23(21)34-27;1-17(2)32-14-13-23(29(32)8)30-15-16-31(20(30)5)27(6,7)25-18(3)9-12-22-24(25)21-11-10-19(4)28-26(21)33-22/h10-17,21H,1-9H3;2*7-16,19H,1-6H3;9-17,20H,1-8H3/q4*+1/t21-;2*19-;20-/m1111/s1
• InChIKey: RYRRUMFYHAFFBC-XNOQKESKSA-N
• XLogP: 24.22
• TPSA: 168.56 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1826.43
LogP ≤ 5	24.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 159566756) is 2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1ccc(C)c(C(C)(C)N3C=CN(c4c[n+](C(C)C)c(C)n4C)[C@H]3C)c12.Cc1ccc2c(n1)oc1ccc(C)c(C(C)(C)N3C=CN(c4cc[n+](C(C)C)n4C)[C@H]3C)c12.Cc1ccc2c(n1)oc1ccc(C)c(C(C)(C)N3C=CN(c4oc5ccccc5[n+]4C)[C@H]3C)c12.Cc1ccc2c(n1)oc1ccc(C)c(C(C)(C)N3C=CN(c4sc5ccccc5[n+]4C)[C@H]3C)c12.

What is the InChIKey of 2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is RYRRUMFYHAFFBC-XNOQKESKSA-N. The full InChI is InChI=1S/C28H36N5O.C28H29N4O2.C28H29N4OS.C27H34N5O/c1-17(2)32-16-24(30(9)20(32)5)31-14-15-33(21(31)6)28(7,8)26-18(3)10-13-23-25(26)22-12-11-19(4)29-27(22)34-23;1-17-11-14-23-24(20-13-12-18(2)29-26(20)33-23)25(17)28(4,5)32-16-15-31(19(32)3)27-30(6)21-9-7-8-10-22(21)34-27;1-17-11-14-22-24(20-13-12-18(2)29-26(20)33-22)25(17)28(4,5)32-16-15-31(19(32)3)27-30(6)21-9-7-8-10-23(21)34-27;1-17(2)32-14-13-23(29(32)8)30-15-16-31(20(30)5)27(6,7)25-18(3)9-12-22-24(25)21-11-10-19(4)28-26(21)33-22/h10-17,21H,1-9H3;2*7-16,19H,1-6H3;9-17,20H,1-8H3/q4*+1/t21-;2*19-;20-/m1111/s1.

What are the key properties of 2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine?

2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1826.43 g/mol, XLogP of 24.22, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-2H-imidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159566756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).