2,3-Dimethylimidazolium Ion

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.

N-substituted imidazoles

Organic compounds

Organoheterocyclic compounds

Azoles

Imidazoles

Calculated Property

kind Value Source
logP -1.4 ALOGPS
logS -1.8 ALOGPS
Water Solubility 1.99e+00 g/l ALOGPS
logP 0.2 ChemAxon
IUPAC Name 1,2-dimethyl-1H-imidazol-3-ium ChemAxon
Traditional IUPAC Name 2,3-dimethylimidazolium ion ChemAxon
Molecular Weight 97.1384 ChemAxon
Monoisotopic Weight 97.076573298 ChemAxon
SMILES CN1C=C[NH+]=C1C ChemAxon
Molecular Formula C5H9N2 ChemAxon
InChI InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3/p+1 ChemAxon
InChIKey InChIKey=GIWQSPITLQVMSG-UHFFFAOYSA-O ChemAxon
Polar Surface Area (PSA) 19.07 ChemAxon
Refractivity 39.16 ChemAxon
Polarizability 11.05 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 0 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 7.38 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon