1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide

C17H20Br2N6O2 — CID 53318129

About 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide

1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide (PubChem CID 53318129) has the molecular formula C17H20Br2N6O2 and a molecular weight of 500.20 g/mol. Its IUPAC name is 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide.

Molecular Properties

• Compound Name: 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide
• PubChem CID: 53318129
• Molecular Formula: C17H20Br2N6O2
• Molecular Weight: 500.20 g/mol
• Exact Mass: 498.00
• IUPAC Name: 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide
• SMILES: Br.Cn1c(COc2ccc(/C=N/N=C(\N)NO)cc2)c[n+]2ccccc12.[Br-]
• InChI: InChI=1S/C17H19N6O2.2BrH/c1-22-14(11-23-9-3-2-4-16(22)23)12-25-15-7-5-13(6-8-15)10-19-20-17(18)21-24;;/h2-11,24H,12H2,1H3,(H3,18,20,21);2*1H/q+1;;/p-1/b19-10+
• InChIKey: JBCXFOOWOKRBIA-DLFBYYCRSA-M
• XLogP: -1.45
• TPSA: 101.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.20
LogP ≤ 5	-1.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide?

The IUPAC name of 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide (CID 53318129) is 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide.

What is the SMILES notation for 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide?

The canonical SMILES for 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide is Br.Cn1c(COc2ccc(/C=N/N=C(\N)NO)cc2)c[n+]2ccccc12.[Br-].

What is the InChIKey of 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide?

The InChIKey is JBCXFOOWOKRBIA-DLFBYYCRSA-M. The full InChI is InChI=1S/C17H19N6O2.2BrH/c1-22-14(11-23-9-3-2-4-16(22)23)12-25-15-7-5-13(6-8-15)10-19-20-17(18)21-24;;/h2-11,24H,12H2,1H3,(H3,18,20,21);2*1H/q+1;;/p-1/b19-10+;;.

What are the key properties of 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide?

1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide has a molecular weight of 500.20 g/mol, XLogP of -1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide is sourced from PubChem (CID 53318129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).