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A simple approach was introduced to predict the corrosion inhibition efficiency of some imidazole and benzimidazole derivatives as well as linear organic compounds containing several polar functional groups. In contrast to available predictive methods including quantitative structure‐activity relationship models (QSAR models) and quantum methods, there is no need to use complex computer codes and unusual complicated molecular descriptors as well expert users. For 34 nitrogen containing corrosion inhibitors, where the results of two complex models were available, the root mean squared (RMS) deviations of the new method is 4.58, which is much lower than the computed outputs of two available models. The RMS value of the new method is 6.15 for further eleven compounds, which confirm high reliability of the new correlation.

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No abstract

A novel method for prediction of the inhibition efficiency of pyridine and imidazole derivatives is proposed. It does not require computer codes and unusual descriptors. It is based on the number of bromine atoms, the sum of the number of carbon and nitrogen atoms, and different structural factors. For 30 inhibitors, the root means * Dr. M. H. Keshavarz Table 6. Comparison of comparison of the predicted corrosion inhibition efficiency by Equation (1) and quantum chemical model of with the experimental corrosion inhibition efficiency (η exp ) as external validation set.