The antifungal agent 1-[2-(4-chlorobenzylamino)benzyl]-1H-imidazole

The crystal structure of the title compound, C17H16N3Cl, and its global minimum-energy structure are not compatible with the model proposed in a recent CoMFA three-dimensional-QSAR (comparative molecular field analysis three-dimensional-quantitative structure–activity relationship) analysis in which the fixed conformation of the model is used to align all the structures of the inhibitors studied. This result suggests the hypothesis that this molecule belongs to another class of antifungal agents.