9QY

methyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate


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Chemical Component Summary

Namemethyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
Synonymsresorcinylic inhibitor BnIm
Identifiersmethyl 3-chloranyl-4,6-bis(oxidanyl)-2-[2-[1-(phenylmethyl)imidazol-2-yl]ethyl]benzoate
FormulaC20 H19 Cl N2 O4
Molecular Weight386.829
TypeNON-POLYMER
Isomeric SMILESCOC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O
InChIInChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3
InChIKeyNCWIQXPFJORNJP-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count48
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL3426787
PubChem 60165612
ChEMBL CHEMBL3426787