C147H153Cl8N39O9S — CID 158174585
N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]acetamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]methanesulfonamide;4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylpiperazin-2-one;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]acetamide;2-[5-chloro-2-(5-methylidene-1,4-diazepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-methylbenzimidazole;methyl N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]carbamate;methyl N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 158174585) has the molecular formula C147H153Cl8N39O9S and a molecular weight of 2925.80 g/mol. Its IUPAC name is N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]acetamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]methanesulfonamide;4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylpiperazin-2-one;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]acetamide;2-[5-chloro-2-(5-methylidene-1,4-diazepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-methylbenzimidazole;methyl N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]carbamate;methyl N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]carbamate.
| Compound Name | N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]acetamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]methanesulfonamide;4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylpiperazin-2-one;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]acetamide;2-[5-chloro-2-(5-methylidene-1,4-diazepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-methylbenzimidazole;methyl N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]carbamate;methyl N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]carbamate |
|---|---|
| PubChem CID | 158174585 |
| Molecular Formula | C147H153Cl8N39O9S |
| Molecular Weight | 2925.80 g/mol |
| Exact Mass | 2919.99 |
| IUPAC Name | N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]acetamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]methanesulfonamide;4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylpiperazin-2-one;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]acetamide;2-[5-chloro-2-(5-methylidene-1,4-diazepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;2-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-methylbenzimidazole;methyl N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]azetidin-3-yl]carbamate;methyl N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]carbamate |
| SMILES | C=C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CCN1.CC(=O)NC1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C1.CC(=O)NC1CN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C1.CN1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1=O.COC(=O)NC1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.COC(=O)NC1CN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C1.Cn1c(-c2cc(N3CC(NS(C)(=O)=O)C3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3CCCCC3)ncc2Cl)nc2ccccc21 |
| InChI | InChI=1S/C20H22ClN5O2.C19H20ClN5O.C19H20ClN5.C18H18ClN5O2.2C18H18ClN5O.C18H19ClN4.C17H18ClN5O2S/c1-25-17-6-4-3-5-16(17)24-19(25)14-11-18(22-12-15(14)21)26-9-7-13(8-10-26)23-20(27)28-2;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;1-13-7-9-25(10-8-21-13)18-11-14(15(20)12-22-18)19-23-16-5-3-4-6-17(16)24(19)2;1-23-15-6-4-3-5-14(15)22-17(23)12-7-16(20-8-13(12)19)24-9-11(10-24)21-18(25)26-2;1-11(25)21-12-9-24(10-12)17-7-13(14(19)8-20-17)18-22-15-5-3-4-6-16(15)23(18)2;1-22-7-8-24(11-17(22)25)16-9-12(13(19)10-20-16)18-21-14-5-3-4-6-15(14)23(18)2;1-22-16-8-4-3-7-15(16)21-18(22)13-11-17(20-12-14(13)19)23-9-5-2-6-10-23;1-22-15-6-4-3-5-14(15)20-17(22)12-7-16(19-8-13(12)18)23-9-11(10-23)21-26(2,24)25/h3-6,11-13H,7-10H2,1-2H3,(H,23,27);3-6,9-10,13H,7-8,11H2,1-2H3,(H,22,26);3-6,11-12,21H,1,7-10H2,2H3;3-8,11H,9-10H2,1-2H3,(H,21,25);3-8,12H,9-10H2,1-2H3,(H,21,25);3-6,9-10H,7-8,11H2,1-2H3;3-4,7-8,11-12H,2,5-6,9-10H2,1H3;3-8,11,21H,9-10H2,1-2H3 |
| InChIKey | FXVVZDBXZHBDKC-UHFFFAOYSA-N |
| XLogP | 24.54 |
| TPSA | 484.97 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 204 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2925.80 |
| LogP ≤ 5 | 24.54 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 42 |