C170H192N26O15S5 — CID 159911715
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;2-[3-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole) (PubChem CID 159911715) has the molecular formula C170H192N26O15S5 and a molecular weight of 2999.91 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;2-[3-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole).
| Compound Name | 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;2-[3-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole) |
|---|---|
| PubChem CID | 159911715 |
| Molecular Formula | C170H192N26O15S5 |
| Molecular Weight | 2999.91 g/mol |
| Exact Mass | 2997.37 |
| IUPAC Name | 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;2-[3-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole) |
| SMILES | COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1ccc(C)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1cccc2[nH]c(C3CCN(Cc4cccc(CCN)c4)CC3)nc12.O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 |
| InChI | InChI=1S/C28H29N3O3.C26H32N4O2.C22H28N4.4C19H21N3O2S.C18H19N3O2S/c1-19-7-9-20(10-8-19)18-34-25-12-11-22(17-26(25)33-2)28(32)31-15-13-21(14-16-31)27-29-23-5-3-4-6-24(23)30-27;31-26(21-8-10-22(11-9-21)32-19-18-29-14-4-1-5-15-29)30-16-12-20(13-17-30)25-27-23-6-2-3-7-24(23)28-25;1-16-4-2-7-20-21(16)25-22(24-20)19-9-12-26(13-10-19)15-18-6-3-5-17(14-18)8-11-23;4*1-14-6-8-16(9-7-14)25(23,24)22-12-10-15(11-13-22)19-20-17-4-2-3-5-18(17)21-19;22-24(23,15-6-2-1-3-7-15)21-12-10-14(11-13-21)18-19-16-8-4-5-9-17(16)20-18/h3-12,17,21H,13-16,18H2,1-2H3,(H,29,30);2-3,6-11,20H,1,4-5,12-19H2,(H,27,28);2-7,14,19H,8-13,15,23H2,1H3,(H,24,25);4*2-9,15H,10-13H2,1H3,(H,20,21);1-9,14H,10-13H2,(H,19,20) |
| InChIKey | NXGLFYGSSHFINA-UHFFFAOYSA-N |
| XLogP | 30.57 |
| TPSA | 517.15 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 216 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2999.91 |
| LogP ≤ 5 | 30.57 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 26 |