(1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene

C32H44N10O2+2 — CID 130423899

IUPAC(1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene
SMILESCCn1cc[n+](CC)c1/N=N/c1ccc(N2CCN(c3ccc(/N=N/c4n(CC)cc[n+]4CC)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C32H44N10O2/c1-7-37-15-16-38(8-2)31(37)35-33-27-13-11-25(23-29(27)43-5)41-19-21-42(22-20-41)26-12-14-28(30(24-26)44-6)34-36-32-39(9-3)17-18-40(32)10-4/h11-18,23-24H,7-10,19-22H2,1-6H3/q+2
InChIKeyUTYQFFMXQPIIQK-UHFFFAOYSA-N
MW600.77 g/mol
LogP6.12
Rot. Bonds12

About (1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene

(1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene (PubChem CID 130423899) has the molecular formula C32H44N10O2+2 and a molecular weight of 600.77 g/mol. Its IUPAC name is (1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene.

Molecular Properties

Compound Name(1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene
PubChem CID130423899
Molecular FormulaC32H44N10O2+2
Molecular Weight600.77 g/mol
Exact Mass600.36
IUPAC Name(1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene
SMILESCCn1cc[n+](CC)c1/N=N/c1ccc(N2CCN(c3ccc(/N=N/c4n(CC)cc[n+]4CC)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C32H44N10O2/c1-7-37-15-16-38(8-2)31(37)35-33-27-13-11-25(23-29(27)43-5)41-19-21-42(22-20-41)26-12-14-28(30(24-26)44-6)34-36-32-39(9-3)17-18-40(32)10-4/h11-18,23-24H,7-10,19-22H2,1-6H3/q+2
InChIKeyUTYQFFMXQPIIQK-UHFFFAOYSA-N
XLogP6.12
TPSA92.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene 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

carbanide;(2,4-diethyl-1,2,4-triazol-4-ium-3-yl)-[4-[5-[4-[(2,4-diethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-3-methoxyphenyl]-1,5-diazocan-1-yl]-2-methoxyphenyl]diazene
CID 159154178
(1,3-diethylimidazol-1-ium-2-yl)-(4-thiomorpholin-4-ylphenyl)diazene
CID 145088080
(1,3-diethylimidazol-1-ium-2-yl)-[4-[5-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-2-methylphenyl]-1,5-diazocan-1-yl]-3-methylphenyl]diazene
CID 130423907
1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine
CID 59545760
bis((2-methoxy-4-morpholin-4-ylphenyl)diazene);chloride
CID 123629300
1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine
CID 88972457
CID 89330642
CID 89330642
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
N,N'-bis[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N,N'-diethylpropane-1,3-diamine
CID 121364502
1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine
CID 176934846
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
CID 69476818

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene?
The IUPAC name of (1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene (CID 130423899) is (1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene.
What is the SMILES notation for (1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene?
The canonical SMILES for (1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene is CCn1cc[n+](CC)c1/N=N/c1ccc(N2CCN(c3ccc(/N=N/c4n(CC)cc[n+]4CC)c(OC)c3)CC2)cc1OC.
What is the InChIKey of (1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene?
The InChIKey is UTYQFFMXQPIIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N10O2/c1-7-37-15-16-38(8-2)31(37)35-33-27-13-11-25(23-29(27)43-5)41-19-21-42(22-20-41)26-12-14-28(30(24-26)44-6)34-36-32-39(9-3)17-18-40(32)10-4/h11-18,23-24H,7-10,19-22H2,1-6H3/q+2.
What are the key properties of (1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene?
(1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene has a molecular weight of 600.77 g/mol, XLogP of 6.12, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylimidazol-1-ium-2-yl)-[4-[4-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-3-methoxyphenyl]piperazin-1-yl]-2-methoxyphenyl]diazene is sourced from PubChem (CID 130423899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).