C130H117N25O6 — CID 157290419
1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone (PubChem CID 157290419) has the molecular formula C130H117N25O6 and a molecular weight of 2125.53 g/mol. Its IUPAC name is 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone.
| Compound Name | 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone |
|---|---|
| PubChem CID | 157290419 |
| Molecular Formula | C130H117N25O6 |
| Molecular Weight | 2125.53 g/mol |
| Exact Mass | 2123.96 |
| IUPAC Name | 1-[4-[6-(furan-3-yl)benzimidazol-1-yl]phenyl]ethanone;1-(4-methylphenyl)-6-(1H-pyrazol-4-yl)benzimidazole;2-piperidin-1-yl-N-[4-(6-pyridin-3-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetamide;2-piperidin-1-yl-N-[4-(6-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]acetamide;1-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]ethanone |
| SMILES | CC(=O)c1ccc(-n2cnc3ccc(-c4ccncc4)cc32)cc1.CC(=O)c1ccc(-n2cnc3ccc(-c4ccoc4)cc32)cc1.Cc1ccc(-n2cnc3ccc(-c4cn[nH]c4)cc32)cc1.O=C(CN1CCCCC1)Nc1ccc(-n2cnc3ccc(-c4cccnc4)cc32)cc1.O=C(CN1CCCCC1)Nc1ccc(-n2cnc3ccc(-c4ccncc4)cc32)cc1.O=C(CN1CCCCC1)Nc1ccc(-n2cnc3ccc(-c4cncnc4)cc32)cc1 |
| InChI | InChI=1S/2C25H25N5O.C24H24N6O.C20H15N3O.C19H14N2O2.C17H14N4/c31-25(17-29-14-2-1-3-15-29)28-21-5-7-22(8-6-21)30-18-27-23-9-4-20(16-24(23)30)19-10-12-26-13-11-19;31-25(17-29-13-2-1-3-14-29)28-21-7-9-22(10-8-21)30-18-27-23-11-6-19(15-24(23)30)20-5-4-12-26-16-20;31-24(15-29-10-2-1-3-11-29)28-20-5-7-21(8-6-20)30-17-27-22-9-4-18(12-23(22)30)19-13-25-16-26-14-19;1-14(24)15-2-5-18(6-3-15)23-13-22-19-7-4-17(12-20(19)23)16-8-10-21-11-9-16;1-13(22)14-2-5-17(6-3-14)21-12-20-18-7-4-15(10-19(18)21)16-8-9-23-11-16;1-12-2-5-15(6-3-12)21-11-18-16-7-4-13(8-17(16)21)14-9-19-20-10-14/h4-13,16,18H,1-3,14-15,17H2,(H,28,31);4-12,15-16,18H,1-3,13-14,17H2,(H,28,31);4-9,12-14,16-17H,1-3,10-11,15H2,(H,28,31);2-13H,1H3;2-12H,1H3;2-11H,1H3,(H,19,20) |
| InChIKey | BASUJUIMUDXNPF-UHFFFAOYSA-N |
| XLogP | 25.43 |
| TPSA | 344.35 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 161 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2125.53 |
| LogP ≤ 5 | 25.43 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 27 |