Reference management software packages are established as research software packages to help scholars organize their work, improve workflows and ultimately save time. The number of citation management software packages has increased in recent years and therefore choosing an appropriate one has become a challenge for researchers. Scholars always explore the features of an appropriate RMS prior to making an investment to invest in one. Hence, the purpose of this study was to identify and analyze the prominent features in the selection of appropriate reference management software based on an extensive literature review and further to validate this through experts’ opinions. We have utilized the valuable opinions of experts to develop a hierarchical model based on the interpretive structural modelling approach to demonstrate the contextual interrelationship among these factors. Furthermore, the Matrice d’Impacts Croisées-Multiplication Appliquée à un Classement analysis approach has been utilized to classify the identified features based on their dependences and driving power, and to validate the developed interpretive structural modelling-based conceptual model. The developed model in this study can help reference management software developers to understand the correlations among the identified features and their interdependences to further enhance the quality of their products. The academic and practical contributions of the study are discussed.