4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile

C24H27N5O — CID 101189546

IUPAC4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile
SMILESN#Cc1ccc(/N=N/c2ccc(OCCCCCCCCn3ccnc3)cc2)cc1
InChIInChI=1S/C24H27N5O/c25-19-21-7-9-22(10-8-21)27-28-23-11-13-24(14-12-23)30-18-6-4-2-1-3-5-16-29-17-15-26-20-29/h7-15,17,20H,1-6,16,18H2/b28-27+
InChIKeyOXXZSZYLOVSYIE-BYYHNAKLSA-N
MW401.51 g/mol
LogP6.59
Rot. Bonds12

About 4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile

4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile (PubChem CID 101189546) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile
PubChem CID101189546
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile
SMILESN#Cc1ccc(/N=N/c2ccc(OCCCCCCCCn3ccnc3)cc2)cc1
InChIInChI=1S/C24H27N5O/c25-19-21-7-9-22(10-8-21)27-28-23-11-13-24(14-12-23)30-18-6-4-2-1-3-5-16-29-17-15-26-20-29/h7-15,17,20H,1-6,16,18H2/b28-27+
InChIKeyOXXZSZYLOVSYIE-BYYHNAKLSA-N
XLogP6.59
TPSA75.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.59
H-Bond Donors ≤ 50
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'}

Analyze 4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile 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

4-[[4-(11-pyrrol-1-ylundecoxy)phenyl]diazenyl]benzonitrile
CID 101187241
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[10-(4-nitrophenoxy)decyl]imidazole
CID 13219131
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
N'-hydroxy-4-(3-imidazol-1-ylpropoxy)benzenecarboximidamide
CID 109374420
bis(N-[2-(4-chlorophenoxy)ethyl]-5-imidazol-1-ylpentan-1-amine);hydrate;tetrahydrochloride
CID 173280314
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
4-[[4-[7-[bis(2-hydroxyethyl)amino]heptoxy]phenyl]diazenyl]benzonitrile
CID 102123942
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
4-[[4-[8,8-dideuterio-7-[dideuterio(hydroxy)methyl]-8-hydroxyoctoxy]phenyl]diazenyl]benzonitrile
CID 100923837

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile?
The IUPAC name of 4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile (CID 101189546) is 4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile.
What is the SMILES notation for 4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile?
The canonical SMILES for 4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile is N#Cc1ccc(/N=N/c2ccc(OCCCCCCCCn3ccnc3)cc2)cc1.
What is the InChIKey of 4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile?
The InChIKey is OXXZSZYLOVSYIE-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H27N5O/c25-19-21-7-9-22(10-8-21)27-28-23-11-13-24(14-12-23)30-18-6-4-2-1-3-5-16-29-17-15-26-20-29/h7-15,17,20H,1-6,16,18H2/b28-27+.
What are the key properties of 4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile?
4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile has a molecular weight of 401.51 g/mol, XLogP of 6.59, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile is sourced from PubChem (CID 101189546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).