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

C17H19N6O2+ — CID 53318130

IUPAC1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine
SMILESCn1c(COc2ccc(/C=N/N=C(\N)NO)cc2)c[n+]2ccccc12
InChIInChI=1S/C17H19N6O2/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)/q+1/b19-10+
InChIKeyKDMWXSYRFBKYRX-VXLYETTFSA-N
MW339.38 g/mol
LogP0.97
Rot. Bonds5

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

1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine (PubChem CID 53318130) has the molecular formula C17H19N6O2+ and a molecular weight of 339.38 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.

Molecular Properties

Compound Name1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine
PubChem CID53318130
Molecular FormulaC17H19N6O2+
Molecular Weight339.38 g/mol
Exact Mass339.16
IUPAC Name1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine
SMILESCn1c(COc2ccc(/C=N/N=C(\N)NO)cc2)c[n+]2ccccc12
InChIInChI=1S/C17H19N6O2/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)/q+1/b19-10+
InChIKeyKDMWXSYRFBKYRX-VXLYETTFSA-N
XLogP0.97
TPSA101.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide
CID 53318129
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
(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-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
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-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
CID 6076678
2-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine
CID 172952986
2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide
CID 172986443
2-[(E)-[4-[(E)-2-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide
CID 53323024
N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide
CID 5487999
(E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide
CID 54611300

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?
The IUPAC name of 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine (CID 53318130) is 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine.
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?
The canonical SMILES for 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine is Cn1c(COc2ccc(/C=N/N=C(\N)NO)cc2)c[n+]2ccccc12.
What is the InChIKey of 1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine?
The InChIKey is KDMWXSYRFBKYRX-VXLYETTFSA-N. The full InChI is InChI=1S/C17H19N6O2/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)/q+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?
1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine has a molecular weight of 339.38 g/mol, XLogP of 0.97, 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 is sourced from PubChem (CID 53318130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).