Table 2. Molecular physicochemical and topological properties of some selected potent imidazoles.

	Mol. wt	ABC, rotable bond count	PSA (2D)	log(p)	log(D)	No. of HBD's	No. of HBA's	Drieding & MMFF94 (kcal mol–1)	VWV
8f	410	53, 57, 6	56.37	4.93	4.92	1	4	95.88 & 106.53	366.45
9d	388	49, 52, 6	123.88	2.86	0.75	5	8	53.58 & –27.78	337.88
11c	390	47, 51, 2	107.13	1.45	1.45	1	9	91.94 & 66.28	324.89
13b	319	35, 36, 5	54.10	3.88	3.88	0	9	59.7 & 39.7	262.32
14a	349	45, 47, 7	73.22	2.44	2.37	1	5	95.33 & 63.58	317.03
14f	387	45, 47, 7	91.04	1.33	1.26	1	9	69.97 & 76.06	322.95
16a	385	56, 59, 6	46.92	4.38	4.30	1	4	142.58 & 85.21	371.68
19a	483	57, 62, 6	107.80	0.82	0.75	0	9	219.3 2 & 90.52	407.10
19i	427	53, 58, 4	82.45	1.80	1.74	1	9	197.15 & 85.83	366.33
20c	435	48, 52, 4	67.01	5.14	5.14	2	9	120.79 & 120.28	354.00
20e	475	65, 71, 4	73.64	3.67	3.11	2	6	123.79 & 111.28	388.00
21a	310	37, 39, 3	57.45	4.02	3.83	2	6	96.22 & 78.31	270.39
21b	294	37, 39, 3	57.45	3.56	3.37	2	6	96.22 & 78.31	270.39
24	278	35, 38, 1	85.42	1.68	0.75	4	4	60.31 & 54.62	240.48
25	401	57, 62, 3	77.63	3.00	1.57	3	5	147.01 & 100.72	370.63
27	395	50, 54, 3	86.42	2.18	–0.48	4	8	120.81 & 43.48	343.41
36	359	39, 42, 4	123.78	4.31	4.31	2	8	127.81 & 43.48	363.41
36a	373	42, 45, 5	141.60	4.00	4.00	4	8	75.82 & 41.19	312.83
37a	437	52, 66, 5	123.40	4.19	2.78	2	8	95.64 & 74.00	370.77
37b	441	55, 59, 5	110.03	4.57	4.40	1	8	101.48 & 76.03	388.03
48	340	40, 43, 3	124.99	2.78	0.50	4	9	86.78 & 30.73	285.90
49	376	39, 42, 3	138.21	3.56	3.25	2	9	94.11 & 76.56	301.71
50	307	33, 55, 3	92.60	3.49	2.97	2	9	71.79 & 46.86	251.19
53	449	53, 56, 8	96.49	5.45	5.45	0	9	114.11 & 76.56	341.71