4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride

C109H131Cl7N34O3 — CID 158217974

IUPAC4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride
SMILESCN(C)c1ccc(/N=N/c2cc[n+](C)cc2)cc1.CN(C)c1ccc(/N=N/c2ccc3c[n+](C)n(C)c3c2)cc1.CN(C)c1ccc(/N=N/c2ccc3ccc[n+](C)c3c2)cc1.COc1cc(/N=N/c2n(C)cc[n+]2C)c(C)cc1N(C)C.COc1cc(/N=N/c2n(C)cc[n+]2C)c(OC)cc1N.Cn1c2ccccc2c(/N=N/c2ccc(N)cc2)[n+]1C.Cn1cc[n+](C)c1/N=N/c1ccc(Nc2ccc(N)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C18H19N4.C17H18N6.C17H20N5.C15H22N5O.C15H15N5.C14H17N4.C13H17N5O2.7ClH/c1-21(2)17-10-8-15(9-11-17)19-20-16-7-6-14-5-4-12-22(3)18(14)13-16;1-22-11-12-23(2)17(22)21-20-16-9-7-15(8-10-16)19-14-5-3-13(18)4-6-14;1-20(2)16-9-7-14(8-10-16)18-19-15-6-5-13-12-21(3)22(4)17(13)11-15;1-11-9-13(18(2)3)14(21-6)10-12(11)16-17-15-19(4)7-8-20(15)5;1-19-14-6-4-3-5-13(14)15(20(19)2)18-17-12-9-7-11(16)8-10-12;1-17(2)14-6-4-12(5-7-14)15-16-13-8-10-18(3)11-9-13;1-17-5-6-18(2)13(17)16-15-10-8-11(19-3)9(14)7-12(10)20-4;;;;;;;/h4-13H,1-3H3;3-12H,1-2H3,(H2,18,20);5-12H,1-4H3;7-10H,1-6H3;3-10,16H,1-2H3;4-11H,1-3H3;5-8,14H,1-4H3;7*1H/q+1;;2*+1;;+1;;;;;;;;/p-4
InChIKeyJSLZANRSADDKQB-UHFFFAOYSA-J
MW2213.65 g/mol
LogP0.75
Rot. Bonds23

About 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride

4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride (PubChem CID 158217974) has the molecular formula C109H131Cl7N34O3 and a molecular weight of 2213.65 g/mol. Its IUPAC name is 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride.

Molecular Properties

Compound Name4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride
PubChem CID158217974
Molecular FormulaC109H131Cl7N34O3
Molecular Weight2213.65 g/mol
Exact Mass2208.90
IUPAC Name4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride
SMILESCN(C)c1ccc(/N=N/c2cc[n+](C)cc2)cc1.CN(C)c1ccc(/N=N/c2ccc3c[n+](C)n(C)c3c2)cc1.CN(C)c1ccc(/N=N/c2ccc3ccc[n+](C)c3c2)cc1.COc1cc(/N=N/c2n(C)cc[n+]2C)c(C)cc1N(C)C.COc1cc(/N=N/c2n(C)cc[n+]2C)c(OC)cc1N.Cn1c2ccccc2c(/N=N/c2ccc(N)cc2)[n+]1C.Cn1cc[n+](C)c1/N=N/c1ccc(Nc2ccc(N)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C18H19N4.C17H18N6.C17H20N5.C15H22N5O.C15H15N5.C14H17N4.C13H17N5O2.7ClH/c1-21(2)17-10-8-15(9-11-17)19-20-16-7-6-14-5-4-12-22(3)18(14)13-16;1-22-11-12-23(2)17(22)21-20-16-9-7-15(8-10-16)19-14-5-3-13(18)4-6-14;1-20(2)16-9-7-14(8-10-16)18-19-15-6-5-13-12-21(3)22(4)17(13)11-15;1-11-9-13(18(2)3)14(21-6)10-12(11)16-17-15-19(4)7-8-20(15)5;1-19-14-6-4-3-5-13(14)15(20(19)2)18-17-12-9-7-11(16)8-10-12;1-17(2)14-6-4-12(5-7-14)15-16-13-8-10-18(3)11-9-13;1-17-5-6-18(2)13(17)16-15-10-8-11(19-3)9(14)7-12(10)20-4;;;;;;;/h4-13H,1-3H3;3-12H,1-2H3,(H2,18,20);5-12H,1-4H3;7-10H,1-6H3;3-10,16H,1-2H3;4-11H,1-3H3;5-8,14H,1-4H3;7*1H/q+1;;2*+1;;+1;;;;;;;;/p-4
InChIKeyJSLZANRSADDKQB-UHFFFAOYSA-J
XLogP0.75
TPSA355.59 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds23
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002213.65
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride?
The IUPAC name of 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride (CID 158217974) is 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride.
What is the SMILES notation for 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride?
The canonical SMILES for 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride is CN(C)c1ccc(/N=N/c2cc[n+](C)cc2)cc1.CN(C)c1ccc(/N=N/c2ccc3c[n+](C)n(C)c3c2)cc1.CN(C)c1ccc(/N=N/c2ccc3ccc[n+](C)c3c2)cc1.COc1cc(/N=N/c2n(C)cc[n+]2C)c(C)cc1N(C)C.COc1cc(/N=N/c2n(C)cc[n+]2C)c(OC)cc1N.Cn1c2ccccc2c(/N=N/c2ccc(N)cc2)[n+]1C.Cn1cc[n+](C)c1/N=N/c1ccc(Nc2ccc(N)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride?
The InChIKey is JSLZANRSADDKQB-UHFFFAOYSA-J. The full InChI is InChI=1S/C18H19N4.C17H18N6.C17H20N5.C15H22N5O.C15H15N5.C14H17N4.C13H17N5O2.7ClH/c1-21(2)17-10-8-15(9-11-17)19-20-16-7-6-14-5-4-12-22(3)18(14)13-16;1-22-11-12-23(2)17(22)21-20-16-9-7-15(8-10-16)19-14-5-3-13(18)4-6-14;1-20(2)16-9-7-14(8-10-16)18-19-15-6-5-13-12-21(3)22(4)17(13)11-15;1-11-9-13(18(2)3)14(21-6)10-12(11)16-17-15-19(4)7-8-20(15)5;1-19-14-6-4-3-5-13(14)15(20(19)2)18-17-12-9-7-11(16)8-10-12;1-17(2)14-6-4-12(5-7-14)15-16-13-8-10-18(3)11-9-13;1-17-5-6-18(2)13(17)16-15-10-8-11(19-3)9(14)7-12(10)20-4;;;;;;;/h4-13H,1-3H3;3-12H,1-2H3,(H2,18,20);5-12H,1-4H3;7-10H,1-6H3;3-10,16H,1-2H3;4-11H,1-3H3;5-8,14H,1-4H3;7*1H/q+1;;2*+1;;+1;;;;;;;;/p-4.
What are the key properties of 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride?
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride has a molecular weight of 2213.65 g/mol, XLogP of 0.75, 23 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxyaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-2-methoxy-N,N,5-trimethylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]aniline;4-[(1,2-dimethylindazol-2-ium-6-yl)diazenyl]-N,N-dimethylaniline;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,N-dimethyl-4-[(1-methylquinolin-1-ium-7-yl)diazenyl]aniline;heptachloride is sourced from PubChem (CID 158217974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).