4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride

C111H141Cl6N36O5S+ — CID 172983403

IUPAC4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride
SMILESCN(C)c1ccc(/N=N/c2cc[n+](C)cc2)cc1.CN(C)c1ccc(/N=N/c2cc[n+](C)n2C)cc1.CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1.CNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.COc1ccc(N(C)/N=C/c2cc[n+](C)cc2)cc1.CS(=O)(=O)O[O-].Cc1ccc(N(C)N=Cc2cc[n+](C)cc2)cc1.Cn1cc[n+](C)c1/N=N/c1ccc(N)cc1.Cn1cc[n+](C)c1/N=N/c1ccc(Nc2ccc(N)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C17H18N6.C15H18N3O.C15H18N3.C14H17N4.2C13H18N5.C12H15N5.C11H13N5.CH4O4S.6ClH/c1-22-11-12-23(2)17(22)21-20-16-9-7-15(8-10-16)19-14-5-3-13(18)4-6-14;1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14;1-13-4-6-15(7-5-13)18(3)16-12-14-8-10-17(2)11-9-14;1-17(2)14-6-4-12(5-7-14)15-16-13-8-10-18(3)11-9-13;1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-16(2)12-7-5-11(6-8-12)14-15-13-9-10-17(3)18(13)4;1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3;1-15-7-8-16(2)11(15)14-13-10-5-3-9(12)4-6-10;1-6(3,4)5-2;;;;;;/h3-12H,1-2H3,(H2,18,20);4-12H,1-3H3;4-12H,1-3H3;4-11H,1-3H3;2*5-10H,1-4H3;4-9H,1-3H3;3-8,12H,1-2H3;2H,1H3;6*1H/q;5*+1;;;;;;;;;/p-4
InChIKeyYGFLIDMBFIMWPH-UHFFFAOYSA-J
MW2304.38 g/mol
LogP-0.06
Rot. Bonds26

About 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride

4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride (PubChem CID 172983403) has the molecular formula C111H141Cl6N36O5S+ and a molecular weight of 2304.38 g/mol. Its IUPAC name is 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride.

Molecular Properties

Compound Name4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride
PubChem CID172983403
Molecular FormulaC111H141Cl6N36O5S+
Molecular Weight2304.38 g/mol
Exact Mass2299.97
IUPAC Name4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride
SMILESCN(C)c1ccc(/N=N/c2cc[n+](C)cc2)cc1.CN(C)c1ccc(/N=N/c2cc[n+](C)n2C)cc1.CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1.CNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.COc1ccc(N(C)/N=C/c2cc[n+](C)cc2)cc1.CS(=O)(=O)O[O-].Cc1ccc(N(C)N=Cc2cc[n+](C)cc2)cc1.Cn1cc[n+](C)c1/N=N/c1ccc(N)cc1.Cn1cc[n+](C)c1/N=N/c1ccc(Nc2ccc(N)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C17H18N6.C15H18N3O.C15H18N3.C14H17N4.2C13H18N5.C12H15N5.C11H13N5.CH4O4S.6ClH/c1-22-11-12-23(2)17(22)21-20-16-9-7-15(8-10-16)19-14-5-3-13(18)4-6-14;1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14;1-13-4-6-15(7-5-13)18(3)16-12-14-8-10-17(2)11-9-14;1-17(2)14-6-4-12(5-7-14)15-16-13-8-10-18(3)11-9-13;1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-16(2)12-7-5-11(6-8-12)14-15-13-9-10-17(3)18(13)4;1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3;1-15-7-8-16(2)11(15)14-13-10-5-3-9(12)4-6-10;1-6(3,4)5-2;;;;;;/h3-12H,1-2H3,(H2,18,20);4-12H,1-3H3;4-12H,1-3H3;4-11H,1-3H3;2*5-10H,1-4H3;4-9H,1-3H3;3-8,12H,1-2H3;2H,1H3;6*1H/q;5*+1;;;;;;;;;/p-4
InChIKeyYGFLIDMBFIMWPH-UHFFFAOYSA-J
XLogP-0.06
TPSA396.69 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms159
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002304.38
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride?
The IUPAC name of 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride (CID 172983403) is 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride.
What is the SMILES notation for 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride?
The canonical SMILES for 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride is CN(C)c1ccc(/N=N/c2cc[n+](C)cc2)cc1.CN(C)c1ccc(/N=N/c2cc[n+](C)n2C)cc1.CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1.CNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.COc1ccc(N(C)/N=C/c2cc[n+](C)cc2)cc1.CS(=O)(=O)O[O-].Cc1ccc(N(C)N=Cc2cc[n+](C)cc2)cc1.Cn1cc[n+](C)c1/N=N/c1ccc(N)cc1.Cn1cc[n+](C)c1/N=N/c1ccc(Nc2ccc(N)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride?
The InChIKey is YGFLIDMBFIMWPH-UHFFFAOYSA-J. The full InChI is InChI=1S/C17H18N6.C15H18N3O.C15H18N3.C14H17N4.2C13H18N5.C12H15N5.C11H13N5.CH4O4S.6ClH/c1-22-11-12-23(2)17(22)21-20-16-9-7-15(8-10-16)19-14-5-3-13(18)4-6-14;1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14;1-13-4-6-15(7-5-13)18(3)16-12-14-8-10-17(2)11-9-14;1-17(2)14-6-4-12(5-7-14)15-16-13-8-10-18(3)11-9-13;1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-16(2)12-7-5-11(6-8-12)14-15-13-9-10-17(3)18(13)4;1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3;1-15-7-8-16(2)11(15)14-13-10-5-3-9(12)4-6-10;1-6(3,4)5-2;;;;;;/h3-12H,1-2H3,(H2,18,20);4-12H,1-3H3;4-12H,1-3H3;4-11H,1-3H3;2*5-10H,1-4H3;4-9H,1-3H3;3-8,12H,1-2H3;2H,1H3;6*1H/q;5*+1;;;;;;;;;/p-4.
What are the key properties of 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride?
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride has a molecular weight of 2304.38 g/mol, XLogP of -0.06, 26 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]benzene-1,4-diamine;N,N-dimethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;N,4-dimethyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[(1,2-dimethylpyrazol-1-ium-3-yl)diazenyl]-N,N-dimethylaniline;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;hexachloride is sourced from PubChem (CID 172983403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).