Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03789"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2,3-Dimethylimidazolium Ion"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
N-substituted Imidazoles
Organic Compounds
Heterocyclic Compounds
Azoles
Imidazoles
Polyamines
polyamine
amine
organonitrogen compound
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-dimethylimidazol-1-ium
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
true
ChemAxon
PubChem Compound
444800
PubChem Substance
46508725
PDB
DMI
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object