(Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine

C36H38N8O2+2 — CID 5477983

About (Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine

(Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine (PubChem CID 5477983) has the molecular formula C36H38N8O2+2 and a molecular weight of 614.75 g/mol. Its IUPAC name is (Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine.

Molecular Properties

• Compound Name: (Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine
• PubChem CID: 5477983
• Molecular Formula: C36H38N8O2+2
• Molecular Weight: 614.75 g/mol
• Exact Mass: 614.31
• IUPAC Name: (Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine
• SMILES: Cn1c(COc2ccc(/C=N\N3CCN(/N=C\c4ccc(OCc5c[n+]6ccccc6n5C)cc4)CC3)cc2)c[n+]2ccccc12
• InChI: InChI=1S/C36H38N8O2/c1-39-31(25-41-17-5-3-7-35(39)41)27-45-33-13-9-29(10-14-33)23-37-43-19-21-44(22-20-43)38-24-30-11-15-34(16-12-30)46-28-32-26-42-18-6-4-8-36(42)40(32)2/h3-18,23-26H,19-22,27-28H2,1-2H3/q+2/b37-23-,38-24-
• InChIKey: YOWDCUKIAAVYBQ-PXDBBHOGSA-N
• XLogP: 3.98
• TPSA: 67.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.75
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine?

The IUPAC name of (Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine (CID 5477983) is (Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine.

What is the SMILES notation for (Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine?

The canonical SMILES for (Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine is Cn1c(COc2ccc(/C=N\N3CCN(/N=C\c4ccc(OCc5c[n+]6ccccc6n5C)cc4)CC3)cc2)c[n+]2ccccc12.

What is the InChIKey of (Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine?

The InChIKey is YOWDCUKIAAVYBQ-PXDBBHOGSA-N. The full InChI is InChI=1S/C36H38N8O2/c1-39-31(25-41-17-5-3-7-35(39)41)27-45-33-13-9-29(10-14-33)23-37-43-19-21-44(22-20-43)38-24-30-11-15-34(16-12-30)46-28-32-26-42-18-6-4-8-36(42)40(32)2/h3-18,23-26H,19-22,27-28H2,1-2H3/q+2/b37-23-,38-24-.

What are the key properties of (Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine?

(Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine has a molecular weight of 614.75 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]-N-[4-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]piperazin-1-yl]methanimine is sourced from PubChem (CID 5477983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).