Molecular Identity
Histamine
2-(1H-imidazol-5-yl)ethanamine
PubChem CID: 774
Histamine is a member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group. It has a role as a neurotransmitter, a mouse metabolite and a human metabolite. It is a member of imidazoles and an aralkylamino compound. It is a conjugate base of a histaminium.
2D Structure
Properties
C5H9N3
Molecular Formula
111.15
Molecular Weight
g/mol
111.0796
Exact Mass
Da
-0.7
XLogP
Drug-like (Lipinski: < 5)
54.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
64
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(NC=N1)CCNIsomeric SMILES
SMILES: C1=C(NC=N1)CCNSynonyms(20)
histamine51-45-62-(1H-imidazol-5-yl)ethanamineErgamineErgotidine1H-Imidazole-4-ethanamine2-(4-Imidazolyl)ethylamine5-ImidazoleethylamineEraminTheramineFree histaminebeta-Aminoethylglyoxalinebeta-Aminoethylimidazole4-(2-Aminoethyl)-1H-imidazole4-Imidazoleethylamine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Histamine
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