1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride

C33H34Cl2N9O2+ — CID 54602005

IUPAC1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride
SMILESCl.Cn1c(COc2ccc(/C=N\N/C(N)=N/N=C/c3ccc(OCc4c[n+]5ccccc5n4C)cc3)cc2)c[n+]2ccccc12.[Cl-]
InChIInChI=1S/C33H33N9O2.2ClH/c1-39-27(21-41-17-5-3-7-31(39)41)23-43-29-13-9-25(10-14-29)19-35-37-33(34)38-36-20-26-11-15-30(16-12-26)44-24-28-22-42-18-6-4-8-32(42)40(28)2;;/h3-22H,23-24H2,1-2H3,(H3,34,37,38);2*1H/q+2;;/p-1/b35-19-,36-20+;;
InChIKeyBFGHUUYNMMDMDX-BOACHLIFSA-M
MW659.60 g/mol
LogP0.70
Rot. Bonds10

About 1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride

1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride (PubChem CID 54602005) has the molecular formula C33H34Cl2N9O2+ and a molecular weight of 659.60 g/mol. Its IUPAC name is 1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride.

Molecular Properties

Compound Name1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride
PubChem CID54602005
Molecular FormulaC33H34Cl2N9O2+
Molecular Weight659.60 g/mol
Exact Mass658.22
IUPAC Name1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride
SMILESCl.Cn1c(COc2ccc(/C=N\N/C(N)=N/N=C/c3ccc(OCc4c[n+]5ccccc5n4C)cc3)cc2)c[n+]2ccccc12.[Cl-]
InChIInChI=1S/C33H33N9O2.2ClH/c1-39-27(21-41-17-5-3-7-31(39)41)23-43-29-13-9-25(10-14-29)19-35-37-33(34)38-36-20-26-11-15-30(16-12-26)44-24-28-22-42-18-6-4-8-32(42)40(28)2;;/h3-22H,23-24H2,1-2H3,(H3,34,37,38);2*1H/q+2;;/p-1/b35-19-,36-20+;;
InChIKeyBFGHUUYNMMDMDX-BOACHLIFSA-M
XLogP0.70
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500659.60
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride with MolForge

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Related Compounds

1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine
CID 53318130
1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide
CID 53318129
1-N,3-N-bis[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]benzene-1,3-dicarboxamide
CID 5478087
(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
1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 157053375
2-[(E)-(4-butoxyphenyl)methylideneamino]-1-[(E)-(4-pentoxyphenyl)methylideneamino]guanidine
CID 172923446
1,2-bis[(E)-(4-methoxyphenyl)methylideneamino]guanidine
CID 54753081
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine
CID 119080623
N'-[(E)-[4-[(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]pyrrolidine-1-carboximidamide;bromide;hydrobromide
CID 172923251
N'-[(E)-[4-[[1-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium-2-yl]methoxy]phenyl]methylideneamino]pyrrolidine-1-carboximidamide
CID 172923250
2-[6-[[amino-[(2E)-2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylidene]hydrazinyl]methylidene]amino]hexyl]-1-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine;iodide;hydroiodide
CID 54598337
2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
CID 6076678

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride?
The IUPAC name of 1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride (CID 54602005) is 1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride.
What is the SMILES notation for 1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride?
The canonical SMILES for 1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride is Cl.Cn1c(COc2ccc(/C=N\N/C(N)=N/N=C/c3ccc(OCc4c[n+]5ccccc5n4C)cc3)cc2)c[n+]2ccccc12.[Cl-].
What is the InChIKey of 1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride?
The InChIKey is BFGHUUYNMMDMDX-BOACHLIFSA-M. The full InChI is InChI=1S/C33H33N9O2.2ClH/c1-39-27(21-41-17-5-3-7-31(39)41)23-43-29-13-9-25(10-14-29)19-35-37-33(34)38-36-20-26-11-15-30(16-12-26)44-24-28-22-42-18-6-4-8-32(42)40(28)2;;/h3-22H,23-24H2,1-2H3,(H3,34,37,38);2*1H/q+2;;/p-1/b35-19-,36-20+;;.
What are the key properties of 1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride?
1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride has a molecular weight of 659.60 g/mol, XLogP of 0.70, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;chloride;hydrochloride is sourced from PubChem (CID 54602005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).