4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline

C88H126N27O+7 — CID 159877224

IUPAC4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline
SMILESC.C.C.C.C.C.CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1.CN(N=Cc1cc[n+](C)cc1)c1ccccc1.CNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.COc1ccc(N(C)N=Cc2cc[n+](C)cc2)cc1.C[N+]1=C(/N=N/c2ccc(N)cc2)[NH+](C)C=C1.Cn1cc[n+](C)c1/N=N/c1ccc(Nc2ccc(N)cc2)cc1
InChIInChI=1S/C17H18N6.C15H18N3O.C14H16N3.C13H18N5.C12H15N5.C11H13N5.6CH4/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;1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(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;;;;;;/h3-12H,1-2H3,(H2,18,20);4-12H,1-3H3;3-12H,1-2H3;5-10H,1-4H3;4-9H,1-3H3;3-8,12H,1-2H3;6*1H4/q;3*+1;;;;;;;;/p+4
InChIKeyACMAWVLRPUBBFY-UHFFFAOYSA-R
MW1578.16 g/mol
LogP16.37
Rot. Bonds18

About 4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline

4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline (PubChem CID 159877224) has the molecular formula C88H126N27O+7 and a molecular weight of 1578.16 g/mol. Its IUPAC name is 4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline.

Molecular Properties

Compound Name4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline
PubChem CID159877224
Molecular FormulaC88H126N27O+7
Molecular Weight1578.16 g/mol
Exact Mass1577.06
IUPAC Name4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline
SMILESC.C.C.C.C.C.CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1.CN(N=Cc1cc[n+](C)cc1)c1ccccc1.CNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.COc1ccc(N(C)N=Cc2cc[n+](C)cc2)cc1.C[N+]1=C(/N=N/c2ccc(N)cc2)[NH+](C)C=C1.Cn1cc[n+](C)c1/N=N/c1ccc(Nc2ccc(N)cc2)cc1
InChIInChI=1S/C17H18N6.C15H18N3O.C14H16N3.C13H18N5.C12H15N5.C11H13N5.6CH4/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;1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(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;;;;;;/h3-12H,1-2H3,(H2,18,20);4-12H,1-3H3;3-12H,1-2H3;5-10H,1-4H3;4-9H,1-3H3;3-8,12H,1-2H3;6*1H4/q;3*+1;;;;;;;;/p+4
InChIKeyACMAWVLRPUBBFY-UHFFFAOYSA-R
XLogP16.37
TPSA260.29 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001578.16
LogP ≤ 516.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

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-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline with MolForge

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Related Compounds

4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;dichloride
CID 172917726
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene;N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline
CID 172976061
4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline
CID 172934601
4-N-methyl-4-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine
CID 76699706
7-[(4-chlorocyclohexyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;dichloride
CID 159061366
chloromethane;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene
CID 145155356
chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline
CID 143053640
4-N,6-N-bis[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]phenyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;1-N,4-N-bis[2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylanilino]ethyl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide;N,N'-bis[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N,N'-dimethylethane-1,2-diamine;N,N'-bis[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]ethane-1,2-diamine;N,N'-bis[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine;1-[3-[4-[(1,3-dimethyl-1H-imidazole-1,3-diium-2-yl)diazenyl]anilino]propyl]-3-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl]urea;methane;decachloride
CID 159860765
N,N-dimethyl-4-[[1-[3-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]aniline dibromide
CID 172919753
7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;methane;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride
CID 160600614
1-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-4-N-(6-methoxy-2-methylpyridazin-2-ium-3-yl)benzene-1,4-diamine
CID 21028593
(4-chlorophenyl)-(1,3-dimethylimidazol-1-ium-2-yl)diazene;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;methanesulfonoperoxoate
CID 159321955

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline?
The IUPAC name of 4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline (CID 159877224) is 4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline.
What is the SMILES notation for 4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline?
The canonical SMILES for 4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline is C.C.C.C.C.C.CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1.CN(N=Cc1cc[n+](C)cc1)c1ccccc1.CNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.COc1ccc(N(C)N=Cc2cc[n+](C)cc2)cc1.C[N+]1=C(/N=N/c2ccc(N)cc2)[NH+](C)C=C1.Cn1cc[n+](C)c1/N=N/c1ccc(Nc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline?
The InChIKey is ACMAWVLRPUBBFY-UHFFFAOYSA-R. The full InChI is InChI=1S/C17H18N6.C15H18N3O.C14H16N3.C13H18N5.C12H15N5.C11H13N5.6CH4/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;1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(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;;;;;;/h3-12H,1-2H3,(H2,18,20);4-12H,1-3H3;3-12H,1-2H3;5-10H,1-4H3;4-9H,1-3H3;3-8,12H,1-2H3;6*1H4/q;3*+1;;;;;;;;/p+4.
What are the key properties of 4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline?
4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline has a molecular weight of 1578.16 g/mol, XLogP of 16.37, 18 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethyl-1H-imidazole-1,3-diium-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;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline is sourced from PubChem (CID 159877224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).