Table 6.

Affinity and hydrogen bonds formed after pyrimidine-linked benzimidazole hybrids bound to SARS-CoV-2 main protease

Code	1,2,3,4-tetrahydropyrimidine-2-thiols		Code	Pyrimidine-linked benzimidazole hybrids
	Binding affinity (kcal/mol)	Hydrogen bonds (n)		Binding affinity (kcal/mol)	Hydrogen bonds (n)
1a	− 4.4	4	2a	− 6.6	1
1b	− 6.1	1	2b	− 7.1	2
1c	− 5.8	2	2c	− 7.8	4
1d	− 6.1	3	2d	− 7.6	3
1e	− 6.1	3	2e	− 7.4	4
1f	− 5.9	1	2f	− 8.1	1
1g	− 6.1	1	2g	− 7.2	4
1h	− 6.3	1	2h	− 8.0	2