C133H147ClN30O12S6 — CID 162020066
bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole (PubChem CID 162020066) has the molecular formula C133H147ClN30O12S6 and a molecular weight of 2585.69 g/mol. Its IUPAC name is bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole.
| Compound Name | bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole |
|---|---|
| PubChem CID | 162020066 |
| Molecular Formula | C133H147ClN30O12S6 |
| Molecular Weight | 2585.69 g/mol |
| Exact Mass | 2582.98 |
| IUPAC Name | bis(1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole);1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole |
| SMILES | CC(C)(C)S(=O)(=O)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(CCc1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(Cc1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1 |
| InChI | InChI=1S/C24H27N5O2S.C23H25N5O2S.C22H22ClN5O2S.2C22H23N5O2S.C20H27N5O2S/c30-32(31,13-10-19-4-2-1-3-5-19)29-11-8-20(9-12-29)17-28-18-25-23-14-21(6-7-24(23)28)22-15-26-27-16-22;29-31(30,16-19-4-2-1-3-5-19)28-10-8-18(9-11-28)15-27-17-24-22-12-20(6-7-23(22)27)21-13-25-26-14-21;23-19-2-4-20(5-3-19)31(29,30)28-9-7-16(8-10-28)14-27-15-24-21-11-17(1-6-22(21)27)18-12-25-26-13-18;2*28-30(29,20-4-2-1-3-5-20)27-10-8-17(9-11-27)15-26-16-23-21-12-18(6-7-22(21)26)19-13-24-25-14-19;1-20(2,3)28(26,27)25-8-6-15(7-9-25)13-24-14-21-18-10-16(4-5-19(18)24)17-11-22-23-12-17/h1-7,14-16,18,20H,8-13,17H2,(H,26,27);1-7,12-14,17-18H,8-11,15-16H2,(H,25,26);1-6,11-13,15-16H,7-10,14H2,(H,25,26);2*1-7,12-14,16-17H,8-11,15H2,(H,24,25);4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23) |
| InChIKey | YUQFTKNBVDNFSK-UHFFFAOYSA-N |
| XLogP | 21.88 |
| TPSA | 503.28 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2585.69 |
| LogP ≤ 5 | 21.88 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |