2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium

C13H19N2+ — CID 90889664

IUPAC2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium
SMILESC=CC(CCC)CC(C=C)[C+]1N=CC=N1
InChIInChI=1S/C13H19N2/c1-4-7-11(5-2)10-12(6-3)13-14-8-9-15-13/h5-6,8-9,11-12H,2-4,7,10H2,1H3/q+1
InChIKeyBKXGHLVZSVGKMR-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.43
Rot. Bonds7

About 2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium

2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium (PubChem CID 90889664) has the molecular formula C13H19N2+ and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium.

Molecular Properties

Compound Name2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium
PubChem CID90889664
Molecular FormulaC13H19N2+
Molecular Weight203.31 g/mol
Exact Mass203.15
IUPAC Name2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium
SMILESC=CC(CCC)CC(C=C)[C+]1N=CC=N1
InChIInChI=1S/C13H19N2/c1-4-7-11(5-2)10-12(6-3)13-14-8-9-15-13/h5-6,8-9,11-12H,2-4,7,10H2,1H3/q+1
InChIKeyBKXGHLVZSVGKMR-UHFFFAOYSA-N
XLogP3.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium 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

3-prop-2-enyl-N-[5-(3-prop-2-enyloctylideneamino)pentyl]octan-1-imine
CID 88610262
N-butyl-5-ethenyloct-7-en-1-imine
CID 89392711
N-(2-ethenyl-3-methylpentyl)ethanimine
CID 91222977
3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole
CID 123260408
N-(5-methyl-7-propyldec-1-en-4-yl)ethanimine
CID 123276436
N-(2-ethylbutyl)oct-7-en-1-imine
CID 123442282
N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine
CID 123715391
N-(2-ethenyl-5-prop-2-enylcyclopentyl)ethanimine
CID 126733836
N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine
CID 167231130
5-butan-2-yl-3-ethenyl-3,4-dihydro-2H-pyrrole
CID 175612961
N-methyl-2-propylhex-5-en-1-imine
CID 165122973

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium?
The IUPAC name of 2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium (CID 90889664) is 2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium.
What is the SMILES notation for 2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium?
The canonical SMILES for 2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium is C=CC(CCC)CC(C=C)[C+]1N=CC=N1.
What is the InChIKey of 2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium?
The InChIKey is BKXGHLVZSVGKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2/c1-4-7-11(5-2)10-12(6-3)13-14-8-9-15-13/h5-6,8-9,11-12H,2-4,7,10H2,1H3/q+1.
What are the key properties of 2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium?
2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium has a molecular weight of 203.31 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethenyloct-1-en-3-yl)imidazol-2-ylium is sourced from PubChem (CID 90889664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).