Table 8 Physicochemical properties of 1-substiuted-2-(5,6-dichloro-2-(4-methoxyphenyl)-1H-benzo[d]imidazoles 10a-p
Compound ID | MW | #Rotatable bonds | TPSA | WLOGP | Lipinski #violations | Bioavailability Score | PAINS #alerts | Synthetic Accessibility |
|---|---|---|---|---|---|---|---|---|
10a | 469.32 | 7 | 88.74 | 4.87 | 0 | 0.55 | 0 | 3.22 |
10b | 469.32 | 7 | 88.74 | 4.87 | 0 | 0.55 | 1 | 3.22 |
10c | 483.35 | 8 | 77.74 | 5.18 | 0 | 0.55 | 0 | 3.34 |
10d | 483.35 | 8 | 77.74 | 5.18 | 0 | 0.55 | 0 | 3.34 |
10e | 526.35 | 10 | 117.87 | 3.30 | 1 | 0.56 | 0 | 3.47 |
10f | 526.35 | 10 | 117.87 | 3.30 | 1 | 0.56 | 0 | 3.47 |
10g | 541.38 | 11 | 104.04 | 4.72 | 1 | 0.55 | 0 | 3.66 |
10h | 541.38 | 11 | 104.04 | 4.72 | 1 | 0.55 | 0 | 3.65 |
10i | 540.37 | 10 | 117.87 | 3.69 | 1 | 0.56 | 0 | 4.01 |
10j | 569.44 | 12 | 104.04 | 5.50 | 1 | 0.55 | 0 | 4.34 |
10k | 499.35 | 8 | 97.97 | 4.88 | 0 | 0.55 | 0 | 3.40 |
10l | 499.35 | 8 | 97.97 | 4.88 | 0 | 0.55 | 1 | 3.40 |
10m | 556.37 | 11 | 127.10 | 3.31 | 1 | 0.56 | 0 | 3.67 |
10n | 556.37 | 11 | 127.10 | 3.31 | 1 | 0.56 | 0 | 3.66 |
10o | 571.41 | 12 | 113.27 | 4.73 | 1 | 0.55 | 0 | 3.85 |
10p | 571.41 | 12 | 113.27 | 4.73 | 1 | 0.55 | 0 | 3.84 |