C116H92ClF8N39O11S2 — CID 160688808
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methylfuran-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide (PubChem CID 160688808) has the molecular formula C116H92ClF8N39O11S2 and a molecular weight of 2459.84 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methylfuran-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide.
| Compound Name | N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methylfuran-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide |
|---|---|
| PubChem CID | 160688808 |
| Molecular Formula | C116H92ClF8N39O11S2 |
| Molecular Weight | 2459.84 g/mol |
| Exact Mass | 2457.68 |
| IUPAC Name | N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methylfuran-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide |
| SMILES | COc1cscc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)no1.Cc1nc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)s1.Cc1noc(C(F)(F)F)c1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1oc(C(C)(C)C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cc[nH]c1 |
| InChI | InChI=1S/C20H21N5O2.C18H9ClF5N5O.C16H11F3N6O2.C16H14N6OS.C16H13N5O2S.C15H12N6O2.C15H12N6O/c1-11-12(9-16(27-11)20(2,3)4)19(26)24-15-10-21-25-17(15)18-22-13-7-5-6-8-14(13)23-18;19-8-4-7(18(22,23)24)5-11-14(8)28-16(26-11)15-12(6-25-29-15)27-17(30)13-9(20)2-1-3-10(13)21;1-7-11(13(27-25-7)16(17,18)19)15(26)23-10-6-20-24-12(10)14-21-8-4-2-3-5-9(8)22-14;1-8-14(24-9(2)18-8)16(23)21-12-7-17-22-13(12)15-19-10-5-3-4-6-11(10)20-15;1-23-13-8-24-7-9(13)16(22)20-12-6-17-21-14(12)15-18-10-4-2-3-5-11(10)19-15;1-8-6-11(21-23-8)15(22)19-12-7-16-20-13(12)14-17-9-4-2-3-5-10(9)18-14;22-15(9-5-6-16-7-9)20-12-8-17-21-13(12)14-18-10-3-1-2-4-11(10)19-14/h5-10H,1-4H3,(H,21,25)(H,22,23)(H,24,26);1-6H,(H,25,29)(H,26,28)(H,27,30);2-6H,1H3,(H,20,24)(H,21,22)(H,23,26);3-7H,1-2H3,(H,17,22)(H,19,20)(H,21,23);2-8H,1H3,(H,17,21)(H,18,19)(H,20,22);2-7H,1H3,(H,16,20)(H,17,18)(H,19,22);1-8,16H,(H,17,21)(H,18,19)(H,20,22) |
| InChIKey | RPDGFVONMWDFRR-UHFFFAOYSA-N |
| XLogP | 24.67 |
| TPSA | 708.33 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 177 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2459.84 |
| LogP ≤ 5 | 24.67 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 30 |