C107H80Cl2F6N30O10 — CID 160867221
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-chloro-2-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 160867221) has the molecular formula C107H80Cl2F6N30O10 and a molecular weight of 2130.91 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-chloro-2-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide.
| Compound Name | N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-chloro-2-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide |
|---|---|
| PubChem CID | 160867221 |
| Molecular Formula | C107H80Cl2F6N30O10 |
| Molecular Weight | 2130.91 g/mol |
| Exact Mass | 2128.60 |
| IUPAC Name | N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-chloro-2-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide |
| SMILES | CCOc1ccccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.COc1cc(Cl)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccccc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccccc1OC(F)(F)F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccccc1OC(F)F |
| InChI | InChI=1S/C19H17N5O2.C18H14ClN5O2.C18H12F3N5O2.C18H13F2N5O2.C17H12ClN5O.C17H12FN5O/c1-2-26-16-10-6-3-7-12(16)19(25)23-15-11-20-24-17(15)18-21-13-8-4-5-9-14(13)22-18;1-26-15-8-10(19)6-7-11(15)18(25)23-14-9-20-24-16(14)17-21-12-4-2-3-5-13(12)22-17;19-18(20,21)28-14-8-4-1-5-10(14)17(27)25-13-9-22-26-15(13)16-23-11-6-2-3-7-12(11)24-16;19-18(20)27-14-8-4-1-5-10(14)17(26)24-13-9-21-25-15(13)16-22-11-6-2-3-7-12(11)23-16;2*18-11-6-2-1-5-10(11)17(24)22-14-9-19-23-15(14)16-20-12-7-3-4-8-13(12)21-16/h3-11H,2H2,1H3,(H,20,24)(H,21,22)(H,23,25);2-9H,1H3,(H,20,24)(H,21,22)(H,23,25);1-9H,(H,22,26)(H,23,24)(H,25,27);1-9,18H,(H,21,25)(H,22,23)(H,24,26);2*1-9H,(H,19,23)(H,20,21)(H,22,24) |
| InChIKey | SLGVDLHPZSJHJM-UHFFFAOYSA-N |
| XLogP | 22.58 |
| TPSA | 555.68 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 155 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2130.91 |
| LogP ≤ 5 | 22.58 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 22 |