C111H131N25O10S5 — CID 158324279
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-cyclohexylsulfonylpiperidin-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 158324279) has the molecular formula C111H131N25O10S5 and a molecular weight of 2135.77 g/mol. Its IUPAC name is 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-cyclohexylsulfonylpiperidin-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 | 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-cyclohexylsulfonylpiperidin-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 | 158324279 |
| Molecular Formula | C111H131N25O10S5 |
| Molecular Weight | 2135.77 g/mol |
| Exact Mass | 2133.91 |
| IUPAC Name | 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-cyclohexylsulfonylpiperidin-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)(C1CCCCC1)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)(c1ccccc1)N1CCC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CC1 |
| InChI | InChI=1S/C24H27N5O2S.C23H25N5O2S.C22H29N5O2S.C22H23N5O2S.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;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);6-7,12-14,16-17,20H,1-5,8-11,15H2,(H,24,25);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 | GPFLAYGDCCKWRM-UHFFFAOYSA-N |
| XLogP | 17.97 |
| TPSA | 419.40 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 151 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2135.77 |
| LogP ≤ 5 | 17.97 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 25 |