Abstract:
:The geometries, relative stabilities of some 4(7) and 5(6) substituted 2-hydroxybenzimidazole derivatives were calculated with full geometry optimization using AM1 and PM3 in aqueous phase. With the exception of molecules 4, 6 and 7 for all the 4(7) and 5(6) substituted 2-hydroxybenzimidazole derivatives the 3H and keto forms were found to be favored.
journal_name
J Mol Modeljournal_title
Journal of molecular modelingauthors
Oğretir C,Yarligan S,Berber H,Arslan T,Topal Sdoi
10.1007/s00894-003-0150-0subject
Has Abstractpub_date
2003-12-01 00:00:00pages
390-4issue
6eissn
1610-2940issn
0948-5023journal_volume
9pub_type
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