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CHEBI:234472 - 4-({[2-(1H-imidazol-4-yl)ethyl]amino}methyl)benzoic acid

ChEBI IDCHEBI:234472
ChEBI Name4-({[2-(1H-imidazol-4-yl)ethyl]amino}methyl)benzoic acid
Stars
ASCII Name4-({[2-(1H-imidazol-4-yl)ethyl]amino}methyl)benzoic acid
DefinitionA member of the class of benzoic acids that is benzoic acid substituted by a {[2-(1H-imidazol-4-yl)ethyl]amino}methyl group at position 4.
Last Modified19 June 2025
SubmitterAdnan
DownloadsMolfile
FormulaC13H15N3O2
Net Charge0
Average Mass245.282
Monoisotopic Mass245.11643
SMILESO=C(O)c1ccc(CNCCc2cncn2)cc1
InChIInChI=1S/C13H15N3O2/c17-13(18)11-3-1-10(2-4-11)7-14-6-5-12-8-15-9-16-12/h1-4,8-9,14H,5-7H2,(H,15,16)(H,17,18)
InChIKeyTUAURFMXUMTJNM-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
4-({[2-(1H-imidazol-4-yl)ethyl]amino}methyl)benzoic acid (CHEBI:234472) has role hapten (CHEBI:59174)
4-({[2-(1H-imidazol-4-yl)ethyl]amino}methyl)benzoic acid (CHEBI:234472) is a benzoic acids (CHEBI:22723)
4-({[2-(1H-imidazol-4-yl)ethyl]amino}methyl)benzoic acid (CHEBI:234472) is a imidazoles (CHEBI:24780)
4-({[2-(1H-imidazol-4-yl)ethyl]amino}methyl)benzoic acid (CHEBI:234472) is a monocarboxylic acid (CHEBI:25384)
4-({[2-(1H-imidazol-4-yl)ethyl]amino}methyl)benzoic acid (CHEBI:234472) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
4-({[2-(1H-imidazol-4-yl)ethyl]amino}methyl)benzoic acid
Synonyms  Source
HA-245ChEBI
Hapten-HA-245ChEBI
hapten HA-245ChEBI
4-(((2-(1H-imidazol-4-yl)ethyl)amino)methyl)benzoic acidChEBI
4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]benzoic acidChEBI
Citations