Synonyms
1,3-Bis(2,4,6-trimethylphenyl)imidazolium-2-carboxylate; IMes·CO2
IUPAC Name
1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboxylate
Molecular Weight
348.44
Molecular Formula
C22H24N2O2
Canonical SMILES
CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2C(=O)[O-])C3=C(C=C(C=C3C)C)C)C;
InChI
NEHHJWFJQYAIPS-UHFFFAOYSA-N
InChI Key
InChI=1S/C22H24N2O2/c1-13-9-15(3)19(16(4)10-13)23-7-8-24(21(23)22(25)26)20-17(5)11-14(2)12-18(20)6/h7-12H,1-6H3
Melting Point
241°C-dec.-lit.
Purity
98%
Appearance
Solid
Complexity
443
Covalently-Bonded Unit Count
1
Exact Mass
348.184g/mol
H-Bond Acceptor
2
Heavy Atom Count
26
Isomeric SMILES
CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2C(=O)[O-])C3=C(C=C(C=C3C)C)C)C
Monoisotopic Mass
348.184g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
48.9A^2
