2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide

C18H32I2N6 — CID 173149018

IUPAC2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide
SMILESCCN(CC[N+](C)(C)C)c1ccc(/N=N/C2N(C)C=CN2C)cc1.I.[I-]
InChIInChI=1S/C18H31N6.2HI/c1-7-23(14-15-24(4,5)6)17-10-8-16(9-11-17)19-20-18-21(2)12-13-22(18)3;;/h8-13,18H,7,14-15H2,1-6H3;2*1H/q+1;;/p-1/b20-19+;;
InChIKeyMOTVQGYMCVJLDN-LLIZZRELSA-M
MW586.30 g/mol
LogP0.56
Rot. Bonds7

About 2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide

2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide (PubChem CID 173149018) has the molecular formula C18H32I2N6 and a molecular weight of 586.30 g/mol. Its IUPAC name is 2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide.

Molecular Properties

Compound Name2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide
PubChem CID173149018
Molecular FormulaC18H32I2N6
Molecular Weight586.30 g/mol
Exact Mass586.08
IUPAC Name2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide
SMILESCCN(CC[N+](C)(C)C)c1ccc(/N=N/C2N(C)C=CN2C)cc1.I.[I-]
InChIInChI=1S/C18H31N6.2HI/c1-7-23(14-15-24(4,5)6)17-10-8-16(9-11-17)19-20-18-21(2)12-13-22(18)3;;/h8-13,18H,7,14-15H2,1-6H3;2*1H/q+1;;/p-1/b20-19+;;
InChIKeyMOTVQGYMCVJLDN-LLIZZRELSA-M
XLogP0.56
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.30
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide 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'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine
CID 87738291
4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N,N-diethylaniline chloride
CID 25090617
trimethyl-[2-[N-propyl-4-[(1,2,3-trimethylbenzimidazol-1-ium-5-yl)diazenyl]anilino]ethyl]azanium
CID 23109773
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium acetate
CID 21149635
N,N'-bis[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N,N'-diethylpentane-1,5-diamine
CID 121364494
N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline
CID 102500978
N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline
CID 140607759
N,N-diethyl-4-[[4-(pentafluoro-λ6-sulfanyl)phenyl]diazenyl]aniline
CID 122360924
disodium;2-[4-[[4-[ethyl(2-sulfonatooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate
CID 13007465
3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-[3-(trimethylazaniumyl)propyl]anilino]propyl-trimethylazanium
CID 59146689
2-[N-ethyl-4-[[4-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]sulfanylphenyl]diazenyl]anilino]ethanol
CID 102049909
N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
CID 153313292

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide?
The IUPAC name of 2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide (CID 173149018) is 2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide.
What is the SMILES notation for 2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide?
The canonical SMILES for 2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide is CCN(CC[N+](C)(C)C)c1ccc(/N=N/C2N(C)C=CN2C)cc1.I.[I-].
What is the InChIKey of 2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide?
The InChIKey is MOTVQGYMCVJLDN-LLIZZRELSA-M. The full InChI is InChI=1S/C18H31N6.2HI/c1-7-23(14-15-24(4,5)6)17-10-8-16(9-11-17)19-20-18-21(2)12-13-22(18)3;;/h8-13,18H,7,14-15H2,1-6H3;2*1H/q+1;;/p-1/b20-19+;;.
What are the key properties of 2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide?
2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide has a molecular weight of 586.30 g/mol, XLogP of 0.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium;iodide;hydroiodide is sourced from PubChem (CID 173149018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).