[[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium

C25H34N10+2 — CID 142193063

IUPAC[[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium
SMILESC=C/[N+](C)=C(/N=N/c1ccc(NCCCNc2ccc(/N=N/c3n(C)cc[n+]3C)cc2)cc1)NC
InChIInChI=1S/C25H32N10/c1-6-33(3)24(26-2)31-29-22-12-8-20(9-13-22)27-16-7-17-28-21-10-14-23(15-11-21)30-32-25-34(4)18-19-35(25)5/h6,8-15,18-19H,1,7,16-17H2,2-5H3,(H,26,27,31)/p+2
InChIKeyAFNOYOWYELYMGB-UHFFFAOYSA-P
MW474.62 g/mol
LogP4.62
Rot. Bonds10

About [[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium

[[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium (PubChem CID 142193063) has the molecular formula C25H34N10+2 and a molecular weight of 474.62 g/mol. Its IUPAC name is [[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium.

Molecular Properties

Compound Name[[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium
PubChem CID142193063
Molecular FormulaC25H34N10+2
Molecular Weight474.62 g/mol
Exact Mass474.30
IUPAC Name[[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium
SMILESC=C/[N+](C)=C(/N=N/c1ccc(NCCCNc2ccc(/N=N/c3n(C)cc[n+]3C)cc2)cc1)NC
InChIInChI=1S/C25H32N10/c1-6-33(3)24(26-2)31-29-22-12-8-20(9-13-22)27-16-7-17-28-21-10-14-23(15-11-21)30-32-25-34(4)18-19-35(25)5/h6,8-15,18-19H,1,7,16-17H2,2-5H3,(H,26,27,31)/p+2
InChIKeyAFNOYOWYELYMGB-UHFFFAOYSA-P
XLogP4.62
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine dichloride
CID 130422812
2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium
CID 143373718
1-amino-3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propan-2-ol;ethane
CID 145155320
(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene
CID 58785058
N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-4-propan-2-ylaniline
CID 58992134
N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-(4-nitrophenyl)ethane-1,2-diamine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;N'-(4-nitrophenyl)ethane-1,2-diamine;dichloride
CID 158354825
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-[6-[3-[3-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]anilino]propyl]imidazol-3-ium-1-yl]hexyl]aniline;methanesulfonoperoxoate
CID 158737191
N-chloro-N'-[4-(chloroamino)butyl]-N'-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butane-1,4-diamine
CID 163804345
N-[2-(2-aminoethyldisulfanyl)ethyl]-4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]aniline;N-[2-(2-aminoethyldisulfanyl)ethyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;N-[2-(2-aminoethyldisulfanyl)ethyl]-4-[(1-ethylpyridin-1-ium-4-yl)diazenyl]aniline;N-[2-(2-aminoethyldisulfanyl)ethyl]-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline;4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]-N-[2-[2-[4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]aniline;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-[2-[2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]aniline;4-[(1-ethylpyridin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylpyridin-1-ium-4-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]aniline;4-[(1-methylpyridin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]aniline
CID 159747560
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-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-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium?
The IUPAC name of [[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium (CID 142193063) is [[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium.
What is the SMILES notation for [[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium?
The canonical SMILES for [[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium is C=C/[N+](C)=C(/N=N/c1ccc(NCCCNc2ccc(/N=N/c3n(C)cc[n+]3C)cc2)cc1)NC.
What is the InChIKey of [[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium?
The InChIKey is AFNOYOWYELYMGB-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H32N10/c1-6-33(3)24(26-2)31-29-22-12-8-20(9-13-22)27-16-7-17-28-21-10-14-23(15-11-21)30-32-25-34(4)18-19-35(25)5/h6,8-15,18-19H,1,7,16-17H2,2-5H3,(H,26,27,31)/p+2.
What are the key properties of [[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium?
[[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium has a molecular weight of 474.62 g/mol, XLogP of 4.62, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium is sourced from PubChem (CID 142193063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).