C150H138Cl3FN32O15S — CID 160622779
4,6-dichloro-2-[5-[2-[2-[[6-(4-chloro-6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-1H-benzimidazole;2-[5-[2-[2-[[6-[6-(dimethylamino)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine;2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-[5-[2-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanethiol;6-methyl-2-[5-[2-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-1H-benzimidazole (PubChem CID 160622779) has the molecular formula C150H138Cl3FN32O15S and a molecular weight of 2786.39 g/mol. Its IUPAC name is 4,6-dichloro-2-[5-[2-[2-[[6-(4-chloro-6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-1H-benzimidazole;2-[5-[2-[2-[[6-[6-(dimethylamino)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine;2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-[5-[2-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanethiol;6-methyl-2-[5-[2-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-1H-benzimidazole.
| Compound Name | 4,6-dichloro-2-[5-[2-[2-[[6-(4-chloro-6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-1H-benzimidazole;2-[5-[2-[2-[[6-[6-(dimethylamino)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine;2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-[5-[2-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanethiol;6-methyl-2-[5-[2-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-1H-benzimidazole |
|---|---|
| PubChem CID | 160622779 |
| Molecular Formula | C150H138Cl3FN32O15S |
| Molecular Weight | 2786.39 g/mol |
| Exact Mass | 2782.98 |
| IUPAC Name | 4,6-dichloro-2-[5-[2-[2-[[6-(4-chloro-6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-1H-benzimidazole;2-[5-[2-[2-[[6-[6-(dimethylamino)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine;2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-[5-[2-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanethiol;6-methyl-2-[5-[2-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-1H-benzimidazole |
| SMILES | CN(C)c1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(N(C)C)cc6[nH]5)nc4)cn3)[nH]c2c1.Cc1cc(Cl)c2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6c(Cl)cc(Cl)cc6[nH]5)nc4)cn3)[nH]c2c1.Cc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(C)cc6[nH]5)nc4)cn3)[nH]c2c1.Cc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(CS)cc6[nH]5)nc4)cn3)[nH]c2c1.Cc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(F)cc6[nH]5)nc4)cn3)[nH]c2c1 |
| InChI | InChI=1S/C32H34N8O3.C30H28N6O3S.C30H28N6O3.C29H23Cl3N6O3.C29H25FN6O3/c1-39(2)21-5-9-25-29(17-21)37-31(35-25)27-11-7-23(19-33-27)42-15-13-41-14-16-43-24-8-12-28(34-20-24)32-36-26-10-6-22(40(3)4)18-30(26)38-32;1-19-2-6-23-27(14-19)35-29(33-23)25-8-4-21(16-31-25)38-12-10-37-11-13-39-22-5-9-26(32-17-22)30-34-24-7-3-20(18-40)15-28(24)36-30;1-19-3-7-23-27(15-19)35-29(33-23)25-9-5-21(17-31-25)38-13-11-37-12-14-39-22-6-10-26(32-18-22)30-34-24-8-4-20(2)16-28(24)36-30;1-16-10-20(31)26-24(11-16)35-28(37-26)22-4-2-18(14-33-22)40-8-6-39-7-9-41-19-3-5-23(34-15-19)29-36-25-13-17(30)12-21(32)27(25)38-29;1-18-2-6-22-26(14-18)35-28(33-22)24-8-4-20(16-31-24)38-12-10-37-11-13-39-21-5-9-25(32-17-21)29-34-23-7-3-19(30)15-27(23)36-29/h5-12,17-20H,13-16H2,1-4H3,(H,35,37)(H,36,38);2-9,14-17,40H,10-13,18H2,1H3,(H,33,35)(H,34,36);3-10,15-18H,11-14H2,1-2H3,(H,33,35)(H,34,36);2-5,10-15H,6-9H2,1H3,(H,35,37)(H,36,38);2-9,14-17H,10-13H2,1H3,(H,33,35)(H,34,36) |
| InChIKey | RGXKTFXTUDUOOB-UHFFFAOYSA-N |
| XLogP | 29.39 |
| TPSA | 560.63 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 202 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2786.39 |
| LogP ≤ 5 | 29.39 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
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