N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide

C141H184N64O10+10 — CID 172954252

IUPACN-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide
SMILESCC(/N=N/c1cccc[n+]1C)=N\N=c1/ccccn1C.CC(/N=N/c1cccc[n+]1C)=N\N=c1/ccccn1CCO.CC(/N=N/c1cccc[n+]1CCO)=N\N=c1/ccccn1CCO.CC(/N=N/c1n(C)cc[n+]1C)=N\N=c1n(C)ccn1C.COc1cc[n+](C)c(/N=N/C(C)=N/N=c2\cc(OC)ccn2C)c1.COc1cc[n+](C)c(/N=N/C=N/N=c2\cc(OC)ccn2C)c1.C[n+]1ccccc1/N=N/C=N/N=c1\ccccn1CCO.Cn1cc[n+](C)c1/N=N/C=N/N=c1n(C)ccn1C.Cn1ccccc1=NN=C/N=N/c1cccc[n+]1C.OCCn1ccccc1=NN=C/N=N/c1cccc[n+]1CCO
InChIInChI=1S/2C16H21N6O2.2C15H19N6O2.C15H19N6O.C14H17N6O.C14H17N6.C13H15N6.C12H19N8.C11H17N8/c1-12(17-19-15-10-13(23-4)6-8-21(15)2)18-20-16-11-14(24-5)7-9-22(16)3;1-14(17-19-15-6-2-4-8-21(15)10-12-23)18-20-16-7-3-5-9-22(16)11-13-24;1-20-7-5-12(22-3)9-14(20)18-16-11-17-19-15-10-13(23-4)6-8-21(15)2;22-11-9-20-7-3-1-5-14(20)18-16-13-17-19-15-6-2-4-8-21(15)10-12-23;1-13(16-18-14-7-3-5-9-20(14)2)17-19-15-8-4-6-10-21(15)11-12-22;1-19-8-4-2-6-13(19)17-15-12-16-18-14-7-3-5-9-20(14)10-11-21;1-12(15-17-13-8-4-6-10-19(13)2)16-18-14-9-5-7-11-20(14)3;1-18-9-5-3-7-12(18)16-14-11-15-17-13-8-4-6-10-19(13)2;1-10(13-15-11-17(2)6-7-18(11)3)14-16-12-19(4)8-9-20(12)5;1-16-5-6-17(2)10(16)14-12-9-13-15-11-18(3)7-8-19(11)4/h6-11H,1-5H3;2-9,23-24H,10-13H2,1H3;5-11H,1-4H3;1-8,13,22-23H,9-12H2;3-10,22H,11-12H2,1-2H3;2-9,12,21H,10-11H2,1H3;4-11H,1-3H3;3-11H,1-2H3;6-9H,1-5H3;5-9H,1-4H3/q10*+1
InChIKeyZCFOIDXEUTWWOS-UHFFFAOYSA-N
MW2935.46 g/mol
LogP10.85
Rot. Bonds41

About N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide

N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide (PubChem CID 172954252) has the molecular formula C141H184N64O10+10 and a molecular weight of 2935.46 g/mol. Its IUPAC name is N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide.

Molecular Properties

Compound NameN-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide
PubChem CID172954252
Molecular FormulaC141H184N64O10+10
Molecular Weight2935.46 g/mol
Exact Mass2933.58
IUPAC NameN-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide
SMILESCC(/N=N/c1cccc[n+]1C)=N\N=c1/ccccn1C.CC(/N=N/c1cccc[n+]1C)=N\N=c1/ccccn1CCO.CC(/N=N/c1cccc[n+]1CCO)=N\N=c1/ccccn1CCO.CC(/N=N/c1n(C)cc[n+]1C)=N\N=c1n(C)ccn1C.COc1cc[n+](C)c(/N=N/C(C)=N/N=c2\cc(OC)ccn2C)c1.COc1cc[n+](C)c(/N=N/C=N/N=c2\cc(OC)ccn2C)c1.C[n+]1ccccc1/N=N/C=N/N=c1\ccccn1CCO.Cn1cc[n+](C)c1/N=N/C=N/N=c1n(C)ccn1C.Cn1ccccc1=NN=C/N=N/c1cccc[n+]1C.OCCn1ccccc1=NN=C/N=N/c1cccc[n+]1CCO
InChIInChI=1S/2C16H21N6O2.2C15H19N6O2.C15H19N6O.C14H17N6O.C14H17N6.C13H15N6.C12H19N8.C11H17N8/c1-12(17-19-15-10-13(23-4)6-8-21(15)2)18-20-16-11-14(24-5)7-9-22(16)3;1-14(17-19-15-6-2-4-8-21(15)10-12-23)18-20-16-7-3-5-9-22(16)11-13-24;1-20-7-5-12(22-3)9-14(20)18-16-11-17-19-15-10-13(23-4)6-8-21(15)2;22-11-9-20-7-3-1-5-14(20)18-16-13-17-19-15-6-2-4-8-21(15)10-12-23;1-13(16-18-14-7-3-5-9-20(14)2)17-19-15-8-4-6-10-21(15)11-12-22;1-19-8-4-2-6-13(19)17-15-12-16-18-14-7-3-5-9-20(14)10-11-21;1-12(15-17-13-8-4-6-10-19(13)2)16-18-14-9-5-7-11-20(14)3;1-18-9-5-3-7-12(18)16-14-11-15-17-13-8-4-6-10-19(13)2;1-10(13-15-11-17(2)6-7-18(11)3)14-16-12-19(4)8-9-20(12)5;1-16-5-6-17(2)10(16)14-12-9-13-15-11-18(3)7-8-19(11)4/h6-11H,1-5H3;2-9,23-24H,10-13H2,1H3;5-11H,1-4H3;1-8,13,22-23H,9-12H2;3-10,22H,11-12H2,1-2H3;2-9,12,21H,10-11H2,1H3;4-11H,1-3H3;3-11H,1-2H3;6-9H,1-5H3;5-9H,1-4H3/q10*+1
InChIKeyZCFOIDXEUTWWOS-UHFFFAOYSA-N
XLogP10.85
TPSA760.52 Ų
H-Bond Donors6
H-Bond Acceptors54
Rotatable Bonds41
Heavy Atoms215
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002935.46
LogP ≤ 510.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide?
The IUPAC name of N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide (CID 172954252) is N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide.
What is the SMILES notation for N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide?
The canonical SMILES for N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide is CC(/N=N/c1cccc[n+]1C)=N\N=c1/ccccn1C.CC(/N=N/c1cccc[n+]1C)=N\N=c1/ccccn1CCO.CC(/N=N/c1cccc[n+]1CCO)=N\N=c1/ccccn1CCO.CC(/N=N/c1n(C)cc[n+]1C)=N\N=c1n(C)ccn1C.COc1cc[n+](C)c(/N=N/C(C)=N/N=c2\cc(OC)ccn2C)c1.COc1cc[n+](C)c(/N=N/C=N/N=c2\cc(OC)ccn2C)c1.C[n+]1ccccc1/N=N/C=N/N=c1\ccccn1CCO.Cn1cc[n+](C)c1/N=N/C=N/N=c1n(C)ccn1C.Cn1ccccc1=NN=C/N=N/c1cccc[n+]1C.OCCn1ccccc1=NN=C/N=N/c1cccc[n+]1CCO.
What is the InChIKey of N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide?
The InChIKey is ZCFOIDXEUTWWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H21N6O2.2C15H19N6O2.C15H19N6O.C14H17N6O.C14H17N6.C13H15N6.C12H19N8.C11H17N8/c1-12(17-19-15-10-13(23-4)6-8-21(15)2)18-20-16-11-14(24-5)7-9-22(16)3;1-14(17-19-15-6-2-4-8-21(15)10-12-23)18-20-16-7-3-5-9-22(16)11-13-24;1-20-7-5-12(22-3)9-14(20)18-16-11-17-19-15-10-13(23-4)6-8-21(15)2;22-11-9-20-7-3-1-5-14(20)18-16-13-17-19-15-6-2-4-8-21(15)10-12-23;1-13(16-18-14-7-3-5-9-20(14)2)17-19-15-8-4-6-10-21(15)11-12-22;1-19-8-4-2-6-13(19)17-15-12-16-18-14-7-3-5-9-20(14)10-11-21;1-12(15-17-13-8-4-6-10-19(13)2)16-18-14-9-5-7-11-20(14)3;1-18-9-5-3-7-12(18)16-14-11-15-17-13-8-4-6-10-19(13)2;1-10(13-15-11-17(2)6-7-18(11)3)14-16-12-19(4)8-9-20(12)5;1-16-5-6-17(2)10(16)14-12-9-13-15-11-18(3)7-8-19(11)4/h6-11H,1-5H3;2-9,23-24H,10-13H2,1H3;5-11H,1-4H3;1-8,13,22-23H,9-12H2;3-10,22H,11-12H2,1-2H3;2-9,12,21H,10-11H2,1H3;4-11H,1-3H3;3-11H,1-2H3;6-9H,1-5H3;5-9H,1-4H3/q10*+1.
What are the key properties of N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide?
N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide has a molecular weight of 2935.46 g/mol, XLogP of 10.85, 41 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]methanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]ethanimidamide;N-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]imino-N'-[[1-(2-hydroxyethyl)-2-pyridinylidene]amino]methanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminoethanimidamide;N'-[(E)-[1-(2-hydroxyethyl)-2-pyridinylidene]amino]-N-(1-methylpyridin-1-ium-2-yl)iminomethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(4-methoxy-1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(4-methoxy-1-methyl-2-pyridinylidene)amino]methanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide;N-(1-methylpyridin-1-ium-2-yl)imino-N'-[(1-methyl-2-pyridinylidene)amino]methanimidamide is sourced from PubChem (CID 172954252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).