3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine

C162H156N18O5S+6 — CID 160811915

About 3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine

3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine (PubChem CID 160811915) has the molecular formula C162H156N18O5S+6 and a molecular weight of 2467.22 g/mol. Its IUPAC name is 3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine
• PubChem CID: 160811915
• Molecular Formula: C162H156N18O5S+6
• Molecular Weight: 2467.22 g/mol
• Exact Mass: 2465.22
• IUPAC Name: 3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine
• SMILES: CC(C)c1cc2c(oc3cccnc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc2c(oc3ccncc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc2c(oc3cnccc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc2c(oc3ncccc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1nc2c(oc3ccccc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1nc2c(sc3ccccc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2
• InChI: InChI=1S/5C27H26N3O.C27H26N3S/c1-16(2)22-25(30-14-13-29-15-18-9-5-6-10-19(18)27(29)30)23(17(3)4)28-24-20-11-7-8-12-21(20)31-26(22)24;1-16(2)20-14-21-24-22(10-7-11-28-24)31-26(21)23(17(3)4)25(20)30-13-12-29-15-18-8-5-6-9-19(18)27(29)30;1-16(2)21-14-22-20-10-7-11-28-26(20)31-25(22)23(17(3)4)24(21)30-13-12-29-15-18-8-5-6-9-19(18)27(29)30;1-16(2)20-13-21-22-14-28-10-9-23(22)31-26(21)24(17(3)4)25(20)30-12-11-29-15-18-7-5-6-8-19(18)27(29)30;1-16(2)21-13-22-20-9-10-28-14-23(20)31-26(22)24(17(3)4)25(21)30-12-11-29-15-18-7-5-6-8-19(18)27(29)30;1-16(2)22-25(30-14-13-29-15-18-9-5-6-10-19(18)27(29)30)23(17(3)4)28-24-20-11-7-8-12-21(20)31-26(22)24/h6*5-14,16-17H,15H2,1-4H3/q6*+1
• InChIKey: XEBFFAGGVFGGQI-UHFFFAOYSA-N
• XLogP: 38.48
• TPSA: 195.90 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2467.22
LogP ≤ 5	38.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine?

The IUPAC name of 3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine (CID 160811915) is 3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine.

What is the SMILES notation for 3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine?

The canonical SMILES for 3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine is CC(C)c1cc2c(oc3cccnc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc2c(oc3ccncc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc2c(oc3cnccc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc2c(oc3ncccc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1nc2c(oc3ccccc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1nc2c(sc3ccccc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.

What is the InChIKey of 3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine?

The InChIKey is XEBFFAGGVFGGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/5C27H26N3O.C27H26N3S/c1-16(2)22-25(30-14-13-29-15-18-9-5-6-10-19(18)27(29)30)23(17(3)4)28-24-20-11-7-8-12-21(20)31-26(22)24;1-16(2)20-14-21-24-22(10-7-11-28-24)31-26(21)23(17(3)4)25(20)30-13-12-29-15-18-8-5-6-9-19(18)27(29)30;1-16(2)21-14-22-20-10-7-11-28-26(20)31-25(22)23(17(3)4)24(21)30-13-12-29-15-18-8-5-6-9-19(18)27(29)30;1-16(2)20-13-21-22-14-28-10-9-23(22)31-26(21)24(17(3)4)25(20)30-12-11-29-15-18-7-5-6-8-19(18)27(29)30;1-16(2)21-13-22-20-9-10-28-14-23(20)31-26(22)24(17(3)4)25(21)30-12-11-29-15-18-7-5-6-8-19(18)27(29)30;1-16(2)22-25(30-14-13-29-15-18-9-5-6-10-19(18)27(29)30)23(17(3)4)28-24-20-11-7-8-12-21(20)31-26(22)24/h6*5-14,16-17H,15H2,1-4H3/q6*+1.

What are the key properties of 3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine?

3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 2467.22 g/mol, XLogP of 38.48, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 160811915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).