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

C38H45I2N12+ — CID 54598337

IUPAC2-[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
SMILESCn1c(-c2ccc(/C=N/N/C(N)=N/CCCCCC/N=C(\N)N/N=C/c3ccc(-c4c[n+]5ccccc5n4C)cc3)cc2)c[n+]2ccccc12.I.[I-]
InChIInChI=1S/C38H44N12.2HI/c1-47-33(27-49-23-9-5-11-35(47)49)31-17-13-29(14-18-31)25-43-45-37(39)41-21-7-3-4-8-22-42-38(40)46-44-26-30-15-19-32(20-16-30)34-28-50-24-10-6-12-36(50)48(34)2;;/h5-6,9-20,23-28H,3-4,7-8,21-22H2,1-2H3,(H3,39,41,45)(H3,40,42,46);2*1H/q+2;;/p-1/b43-25+,44-26+;;
InChIKeyZAJJLBHMBMINFV-BNOXCDEESA-M
MW923.67 g/mol
LogP1.53
Rot. Bonds13

About 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

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 (PubChem CID 54598337) has the molecular formula C38H45I2N12+ and a molecular weight of 923.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID54598337
Molecular FormulaC38H45I2N12+
Molecular Weight923.67 g/mol
Exact Mass923.20
IUPAC Name2-[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
SMILESCn1c(-c2ccc(/C=N/N/C(N)=N/CCCCCC/N=C(\N)N/N=C/c3ccc(-c4c[n+]5ccccc5n4C)cc3)cc2)c[n+]2ccccc12.I.[I-]
InChIInChI=1S/C38H44N12.2HI/c1-47-33(27-49-23-9-5-11-35(47)49)31-17-13-29(14-18-31)25-43-45-37(39)41-21-7-3-4-8-22-42-38(40)46-44-26-30-15-19-32(20-16-30)34-28-50-24-10-6-12-36(50)48(34)2;;/h5-6,9-20,23-28H,3-4,7-8,21-22H2,1-2H3,(H3,39,41,45)(H3,40,42,46);2*1H/q+2;;/p-1/b43-25+,44-26+;;
InChIKeyZAJJLBHMBMINFV-BNOXCDEESA-M
XLogP1.53
TPSA143.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500923.67
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
CID 6076678
(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
2-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine
CID 172952986
N'-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide
CID 5487999
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
[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide
CID 46889708
2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide
CID 172986443
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
2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine
CID 46877408
1-hydroxy-2-[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]guanidine;bromide;hydrobromide
CID 53318129
methyl N'-[(E)-[4-(6-ethylsulfanyl-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]carbamimidothioate
CID 172941457
1-[(E)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-hexylguanidine
CID 42633171

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(-c2ccc(/C=N/N/C(N)=N/CCCCCC/N=C(\N)N/N=C/c3ccc(-c4c[n+]5ccccc5n4C)cc3)cc2)c[n+]2ccccc12.I.[I-].
What is the InChIKey of 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?
The InChIKey is ZAJJLBHMBMINFV-BNOXCDEESA-M. The full InChI is InChI=1S/C38H44N12.2HI/c1-47-33(27-49-23-9-5-11-35(47)49)31-17-13-29(14-18-31)25-43-45-37(39)41-21-7-3-4-8-22-42-38(40)46-44-26-30-15-19-32(20-16-30)34-28-50-24-10-6-12-36(50)48(34)2;;/h5-6,9-20,23-28H,3-4,7-8,21-22H2,1-2H3,(H3,39,41,45)(H3,40,42,46);2*1H/q+2;;/p-1/b43-25+,44-26+;;.
What are the key properties of 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?
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 has a molecular weight of 923.67 g/mol, XLogP of 1.53, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54598337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).