The conformation of alinidine a new and specific bradycardic agent was studied
using MNDO method. It has been found that the rotation of both phenyl and
imidazoline ring of this compound is restricted. Of two possible isomers of
irnidazoline ring, the one with NH in the cis position to allyl side chain is slightly
more stable. On the other hand, the allyl group can rotate freely and at least six more
conformers besides that of global minima has been identified. These calculations
show that alinidine has a rather flexible structure and suggest that synthesis of more
rigid analogs of this compound may be interesting from the structure-activity point
of view