C107H79Cl3F6N30O9 — CID 159257610
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-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-4-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide;N-[5-(6-chloro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide (PubChem CID 159257610) has the molecular formula C107H79Cl3F6N30O9 and a molecular weight of 2149.36 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-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-4-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide;N-[5-(6-chloro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide.
| 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-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-4-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide;N-[5-(6-chloro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide |
|---|---|
| PubChem CID | 159257610 |
| Molecular Formula | C107H79Cl3F6N30O9 |
| Molecular Weight | 2149.36 g/mol |
| Exact Mass | 2146.56 |
| 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-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-4-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide;N-[5-(6-chloro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide |
| SMILES | COc1cc(C)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.COc1cc(Cl)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1cc(Cl)cc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.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 |
| InChI | InChI=1S/C19H17N5O2.C18H12ClF2N5O.C18H14ClN5O2.C18H12F3N5O2.C17H12ClN5O.C17H12FN5O/c1-11-7-8-12(16(9-11)26-2)19(25)23-15-10-20-24-17(15)18-21-13-5-3-4-6-14(13)22-18;1-8-5-9(19)6-12-15(8)25-17(23-12)16-13(7-22-26-16)24-18(27)14-10(20)3-2-4-11(14)21;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;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/h3-10H,1-2H3,(H,20,24)(H,21,22)(H,23,25);2-7H,1H3,(H,22,26)(H,23,25)(H,24,27);2-9H,1H3,(H,20,24)(H,21,22)(H,23,25);1-9H,(H,22,26)(H,23,24)(H,25,27);2*1-9H,(H,19,23)(H,20,21)(H,22,24) |
| InChIKey | KWCDHIXZQFAKLR-UHFFFAOYSA-N |
| XLogP | 23.14 |
| TPSA | 546.45 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 155 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2149.36 |
| LogP ≤ 5 | 23.14 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 21 |