1.0 2026-09-22 09:19:47 UTC 2026-09-22 09:19:47 UTC FDB118033 Preclathridine A 4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-amine 4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-amine C12H13N3O2 231.255 231.100776671 4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-1H-imidazol-2-amine 4-(2H-1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-amine CN1C=C(CC2=CC=C3OCOC3=C2)N=C1N InChI=1S/C12H13N3O2/c1-15-6-9(14-12(15)13)4-8-2-3-10-11(5-8)17-7-16-10/h2-3,5-6H,4,7H2,1H3,(H2,13,14) JRABMMXJICHILK-UHFFFAOYSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds 1,2,4-trisubstituted imidazoles Acetals Aminoimidazoles Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives N-substituted imidazoles Organopnictogen compounds Oxacyclic compounds Primary aromatic amines 1,2,4-trisubstituted-imidazole Acetal Amine Aminoimidazole Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Benzodioxole Heteroaromatic compound Hydrocarbon derivative Imidazole N-substituted imidazole Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary amine Primary aromatic amine Trisubstituted imidazole logp 1.76 ALOGPS logs -2.09 ALOGPS solubility 1.90e+00 g/l ALOGPS logp 1.52 ChemAxon pka_strongest_basic 8.86 ChemAxon iupac 4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-1H-imidazol-2-amine ChemAxon average_mass 231.255 ChemAxon mono_mass 231.100776671 ChemAxon smiles CN1C=C(CC2=CC=C3OCOC3=C2)N=C1N ChemAxon formula C12H13N3O2 ChemAxon inchi InChI=1S/C12H13N3O2/c1-15-6-9(14-12(15)13)4-8-2-3-10-11(5-8)17-7-16-10/h2-3,5-6H,4,7H2,1H3,(H2,13,14) ChemAxon inchikey JRABMMXJICHILK-UHFFFAOYSA-N ChemAxon polar_surface_area 62.3 ChemAxon refractivity 63.16 ChemAxon polarizability 24.29 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon