C175H167F2N25O18S8 — CID 173072880
2-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine;4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine;4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (PubChem CID 173072880) has the molecular formula C175H167F2N25O18S8 and a molecular weight of 3202.95 g/mol. Its IUPAC name is 2-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine;4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine;4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.
| Compound Name | 2-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine;4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine;4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole |
|---|---|
| PubChem CID | 173072880 |
| Molecular Formula | C175H167F2N25O18S8 |
| Molecular Weight | 3202.95 g/mol |
| Exact Mass | 3200.07 |
| IUPAC Name | 2-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;1-[4-(4-fluorophenyl)phenyl]sulfonyl-4-(1H-imidazol-2-yl)piperidine;4-(1H-imidazol-2-ylmethyl)-1-(4-phenylphenyl)sulfonylpiperidine;4-(1H-imidazol-2-yl)-1-(4-phenylphenyl)sulfonylpiperidine;2-[1-[4-(2-methoxyphenyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole;2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole |
| SMILES | COc1ccccc1-c1ccc(S(=O)(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1.O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CC(c2nc3ccccc3[nH]2)C1.O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC(c2nc3ccccc3[nH]2)C1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1.O=S(=O)(c1ccc(Oc2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 |
| InChI | InChI=1S/C24H23N3O2S.C23H22N4O3S.C23H21N3O3S.C22H18FN3O2S.C22H19N3O2S.C21H23N3O2S.C20H20FN3O2S.C20H21N3O2S/c28-30(29,21-12-10-19(11-13-21)18-6-2-1-3-7-18)27-16-14-20(15-17-27)24-25-22-8-4-5-9-23(22)26-24;28-31(29,19-10-11-22(24-16-19)30-18-6-2-1-3-7-18)27-14-12-17(13-15-27)23-25-20-8-4-5-9-21(20)26-23;1-29-22-9-5-2-6-19(22)16-10-12-18(13-11-16)30(27,28)26-14-17(15-26)23-24-20-7-3-4-8-21(20)25-23;23-18-9-5-15(6-10-18)16-7-11-19(12-8-16)29(27,28)26-13-17(14-26)22-24-20-3-1-2-4-21(20)25-22;26-28(27,19-12-10-17(11-13-19)16-6-2-1-3-7-16)25-14-18(15-25)22-23-20-8-4-5-9-21(20)24-22;25-27(26,20-8-6-19(7-9-20)18-4-2-1-3-5-18)24-14-10-17(11-15-24)16-21-22-12-13-23-21;21-18-5-1-15(2-6-18)16-3-7-19(8-4-16)27(25,26)24-13-9-17(10-14-24)20-22-11-12-23-20;24-26(25,23-14-10-18(11-15-23)20-21-12-13-22-20)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-13,20H,14-17H2,(H,25,26);1-11,16-17H,12-15H2,(H,25,26);2-13,17H,14-15H2,1H3,(H,24,25);1-12,17H,13-14H2,(H,24,25);1-13,18H,14-15H2,(H,23,24);1-9,12-13,17H,10-11,14-16H2,(H,22,23);1-8,11-12,17H,9-10,13-14H2,(H,22,23);1-9,12-13,18H,10-11,14-15H2,(H,21,22) |
| InChIKey | CCWQRSFQNNDILM-UHFFFAOYSA-N |
| XLogP | 32.47 |
| TPSA | 559.83 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 228 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3202.95 |
| LogP ≤ 5 | 32.47 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 27 |