C170H174Cl8N44O6 — CID 158314849
1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-hydroxypyrrolidin-3-yl]methyl]pyrrolidin-2-one;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-[(2-methylimidazol-1-yl)methyl]pyrrolidin-3-ol;4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-6-(4-methylpiperazin-1-yl)-1,4-oxazepane;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidin-3-ol;N-[(3R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]acetamide;2-[5-chloro-2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[3-(3H-pyrrol-2-yl)azetidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole (PubChem CID 158314849) has the molecular formula C170H174Cl8N44O6 and a molecular weight of 3213.19 g/mol. Its IUPAC name is 1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-hydroxypyrrolidin-3-yl]methyl]pyrrolidin-2-one;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-[(2-methylimidazol-1-yl)methyl]pyrrolidin-3-ol;4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-6-(4-methylpiperazin-1-yl)-1,4-oxazepane;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidin-3-ol;N-[(3R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]acetamide;2-[5-chloro-2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[3-(3H-pyrrol-2-yl)azetidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole.
| Compound Name | 1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-hydroxypyrrolidin-3-yl]methyl]pyrrolidin-2-one;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-[(2-methylimidazol-1-yl)methyl]pyrrolidin-3-ol;4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-6-(4-methylpiperazin-1-yl)-1,4-oxazepane;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidin-3-ol;N-[(3R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]acetamide;2-[5-chloro-2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[3-(3H-pyrrol-2-yl)azetidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole |
|---|---|
| PubChem CID | 158314849 |
| Molecular Formula | C170H174Cl8N44O6 |
| Molecular Weight | 3213.19 g/mol |
| Exact Mass | 3207.22 |
| IUPAC Name | 1-[[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-hydroxypyrrolidin-3-yl]methyl]pyrrolidin-2-one;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-[(2-methylimidazol-1-yl)methyl]pyrrolidin-3-ol;4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-6-(4-methylpiperazin-1-yl)-1,4-oxazepane;1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidin-3-ol;N-[(3R)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]acetamide;2-[5-chloro-2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-(3-pyridin-2-ylazetidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-[5-chloro-2-[3-(3H-pyrrol-2-yl)azetidin-1-yl]-4-pyridinyl]-1-methylbenzimidazole |
| SMILES | CC(=O)N[C@@H]1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C1.CN1CCN(C2COCCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)C2)CC1.Cc1nccn1CC1(O)CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C1.Cn1c(-c2cc(N3CC(C4=NC=CC4)C3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3CC(c4ccccn4)C3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3CCC(O)(CN4CCCC4=O)C3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3CCC(O)(c4ncccn4)C3)ncc2Cl)nc2ccccc21.Cn1ccnc1C1CCCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C1 |
| InChI | InChI=1S/C23H29ClN6O.C22H23ClN6O.C22H23ClN6.C22H24ClN5O2.C21H19ClN6O.C21H18ClN5.C20H18ClN5.C19H20ClN5O/c1-27-7-9-29(10-8-27)17-15-30(11-12-31-16-17)22-13-18(19(24)14-25-22)23-26-20-5-3-4-6-21(20)28(23)2;1-15-24-8-10-28(15)13-22(30)7-9-29(14-22)20-11-16(17(23)12-25-20)21-26-18-5-3-4-6-19(18)27(21)2;1-27-11-9-24-21(27)15-6-5-10-29(14-15)20-12-16(17(23)13-25-20)22-26-18-7-3-4-8-19(18)28(22)2;1-26-18-6-3-2-5-17(18)25-21(26)15-11-19(24-12-16(15)23)27-10-8-22(30,13-27)14-28-9-4-7-20(28)29;1-27-17-6-3-2-5-16(17)26-19(27)14-11-18(25-12-15(14)22)28-10-7-21(29,13-28)20-23-8-4-9-24-20;1-26-19-8-3-2-7-18(19)25-21(26)15-10-20(24-11-16(15)22)27-12-14(13-27)17-6-4-5-9-23-17;1-25-18-7-3-2-5-17(18)24-20(25)14-9-19(23-10-15(14)21)26-11-13(12-26)16-6-4-8-22-16;1-12(26)22-13-7-8-25(11-13)18-9-14(15(20)10-21-18)19-23-16-5-3-4-6-17(16)24(19)2/h3-6,13-14,17H,7-12,15-16H2,1-2H3;3-6,8,10-12,30H,7,9,13-14H2,1-2H3;3-4,7-9,11-13,15H,5-6,10,14H2,1-2H3;2-3,5-6,11-12,30H,4,7-10,13-14H2,1H3;2-6,8-9,11-12,29H,7,10,13H2,1H3;2-11,14H,12-13H2,1H3;2-5,7-10,13H,6,11-12H2,1H3;3-6,9-10,13H,7-8,11H2,1-2H3,(H,22,26)/t;;;;;;;13-/m.......1/s1 |
| InChIKey | GODFJKBPOGHZJP-JLABWKMBSA-N |
| XLogP | 27.99 |
| TPSA | 484.08 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3213.19 |
| LogP ≤ 5 | 27.99 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 48 |