(3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene

C15H15N4+ — CID 136799598

IUPAC(3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene
SMILESCC[n+]1cc[nH]c1/N=N/c1cccc2ccccc12
InChIInChI=1S/C15H14N4/c1-2-19-11-10-16-15(19)18-17-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3/p+1/b18-17+
InChIKeyWHBRYJJHLKGNPS-ISLYRVAYSA-O
MW251.31 g/mol
LogP3.89
Rot. Bonds3

About (3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene

(3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene (PubChem CID 136799598) has the molecular formula C15H15N4+ and a molecular weight of 251.31 g/mol. Its IUPAC name is (3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene.

Molecular Properties

Compound Name(3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene
PubChem CID136799598
Molecular FormulaC15H15N4+
Molecular Weight251.31 g/mol
Exact Mass251.13
IUPAC Name(3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene
SMILESCC[n+]1cc[nH]c1/N=N/c1cccc2ccccc12
InChIInChI=1S/C15H14N4/c1-2-19-11-10-16-15(19)18-17-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3/p+1/b18-17+
InChIKeyWHBRYJJHLKGNPS-ISLYRVAYSA-O
XLogP3.89
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene 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

CID 175078571
CID 175078571
methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene
CID 21337324
(2-bromophenyl)-naphthalen-1-yldiazene
CID 581691
(4-methylphenyl)-naphthalen-1-yldiazene
CID 20700715
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
N-naphthalen-1-yliminomethanesulfonamide
CID 166448164
3-ethyl-2-phenyl-1H-imidazol-3-ium
CID 15865415
[2-(naphthalen-1-yldiazenyl)phenyl]methanamine
CID 161282982
naphthalen-1-yl-(2-naphthalen-1-ylnaphthalen-1-yl)diazene
CID 87715057
(3-iodophenyl)-naphthalen-1-yldiazene
CID 132533459
4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol
CID 136784114
4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135510724

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene?
The IUPAC name of (3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene (CID 136799598) is (3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene.
What is the SMILES notation for (3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene?
The canonical SMILES for (3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene is CC[n+]1cc[nH]c1/N=N/c1cccc2ccccc12.
What is the InChIKey of (3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene?
The InChIKey is WHBRYJJHLKGNPS-ISLYRVAYSA-O. The full InChI is InChI=1S/C15H14N4/c1-2-19-11-10-16-15(19)18-17-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3/p+1/b18-17+.
What are the key properties of (3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene?
(3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene has a molecular weight of 251.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1H-imidazol-3-ium-2-yl)-naphthalen-1-yldiazene is sourced from PubChem (CID 136799598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).