1.0 2010-04-08 22:09:15 UTC 2019-11-26 03:03:58 UTC FDB010676 Lepidine B Alkaloid from Lepidium sativum (garden cress). Lepidine B is found in garden cress and brassicas. Lepidine B C20H18N4O2 346.3825 346.14297584 3-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol 3-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol OC1=CC=CC(CC2=NC=CN2)=C1OC1=CC=CC(CC2=NC=CN2)=C1 InChI=1S/C20H18N4O2/c25-17-6-2-4-15(13-19-23-9-10-24-19)20(17)26-16-5-1-3-14(11-16)12-18-21-7-8-22-18/h1-11,25H,12-13H2,(H,21,22)(H,23,24) RQNSAUQJLRAUMV-UHFFFAOYSA-N belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. Diphenylethers Organic compounds Benzenoids Benzene and substituted derivatives Diphenylethers Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Azacyclic compounds Diarylethers Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organonitrogen compounds Organopnictogen compounds Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic heteromonocyclic compound Azacycle Azole Diaryl ether Diphenylether Ether Heteroaromatic compound Hydrocarbon derivative Imidazole Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound logp 3.53 ALOGPS logs -3.92 ALOGPS solubility 4.19e-02 g/l ALOGPS melting_point Mp 212-214° logp 2.63 ChemAxon pka_strongest_acidic 8.48 ChemAxon pka_strongest_basic 7.3 ChemAxon iupac 3-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol ChemAxon average_mass 346.3825 ChemAxon mono_mass 346.14297584 ChemAxon smiles OC1=CC=CC(CC2=NC=CN2)=C1OC1=CC=CC(CC2=NC=CN2)=C1 ChemAxon formula C20H18N4O2 ChemAxon inchi InChI=1S/C20H18N4O2/c25-17-6-2-4-15(13-19-23-9-10-24-19)20(17)26-16-5-1-3-14(11-16)12-18-21-7-8-22-18/h1-11,25H,12-13H2,(H,21,22)(H,23,24) ChemAxon inchikey RQNSAUQJLRAUMV-UHFFFAOYSA-N ChemAxon polar_surface_area 86.82 ChemAxon refractivity 98.51 ChemAxon polarizability 36.28 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16787 Specdb::CMs 42931 Specdb::CMs 133365 Specdb::CMs 141099 Specdb::MsMs 69306 Specdb::MsMs 69307 Specdb::MsMs 69308 Specdb::MsMs 127560 Specdb::MsMs 127561 Specdb::MsMs 127562 Specdb::MsMs 2741110 Specdb::MsMs 2741111 Specdb::MsMs 2741112 Specdb::MsMs 2938362 Specdb::MsMs 2938363 Specdb::MsMs 2938364 HMDB32715 #<Reference:0x000055ce31ef20b8> Brassicas Unknown generic 3705 Garden cress Type 1 specific Lepidium sativum 33125