C256H296N52O22 — CID 157330166
[5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;2-[5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole;N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)pyridin-3-amine;[5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;[5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;[4-methoxy-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;bis([2-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)-3-pyridinyl]methanol);[2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;4-[2-[[2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]morpholine;[2-(6-methyl-1H-benzimidazol-2-yl)-5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanol;[5-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol (PubChem CID 157330166) has the molecular formula C256H296N52O22 and a molecular weight of 4453.53 g/mol. Its IUPAC name is [5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;2-[5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole;N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)pyridin-3-amine;[5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;[5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;[4-methoxy-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;bis([2-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)-3-pyridinyl]methanol);[2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;4-[2-[[2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]morpholine;[2-(6-methyl-1H-benzimidazol-2-yl)-5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanol;[5-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol.
| Compound Name | [5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;2-[5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole;N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)pyridin-3-amine;[5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;[5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;[4-methoxy-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;bis([2-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)-3-pyridinyl]methanol);[2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;4-[2-[[2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]morpholine;[2-(6-methyl-1H-benzimidazol-2-yl)-5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanol;[5-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol |
|---|---|
| PubChem CID | 157330166 |
| Molecular Formula | C256H296N52O22 |
| Molecular Weight | 4453.53 g/mol |
| Exact Mass | 4450.36 |
| IUPAC Name | [5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;2-[5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole;N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)pyridin-3-amine;[5-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;[5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;[4-methoxy-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;bis([2-(6-methyl-1H-benzimidazol-2-yl)-5-(2-piperidin-1-ylethoxy)-3-pyridinyl]methanol);[2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol;4-[2-[[2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]morpholine;[2-(6-methyl-1H-benzimidazol-2-yl)-5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanol;[5-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]methanol |
| SMILES | CCN1CCN(CCOc2cnc(-c3nc4ccc(C)cc4[nH]3)c(CO)c2)CC1.COc1ccnc(-c2nc3ccc(C)cc3[nH]2)c1CO.Cc1ccc2nc(-c3ccc(OCCN4CCN(Cc5ccccc5)CC4)cn3)[nH]c2c1.Cc1ccc2nc(-c3ccc(OCCN4CCOCC4)cn3)[nH]c2c1.Cc1ccc2nc(-c3ncc(OCCN4CC(C)OC(C)C4)cc3CO)[nH]c2c1.Cc1ccc2nc(-c3ncc(OCCN4CCCC4)cc3CO)[nH]c2c1.Cc1ccc2nc(-c3ncc(OCCN4CCCCC4)cc3CO)[nH]c2c1.Cc1ccc2nc(-c3ncc(OCCN4CCCCC4)cc3CO)[nH]c2c1.Cc1ccc2nc(-c3ncc(OCCN4CCN(Cc5ccccc5)CC4)cc3CO)[nH]c2c1.Cc1ccc2nc(-c3ncccc3CO)[nH]c2c1.Cc1ccc2nc(-c3ncccc3N(C)C)[nH]c2c1.Cc1ccc2nc(-c3ncccc3OCCN3CCOCC3)[nH]c2c1.Cc1cnc(-c2nc3ccc(C)cc3[nH]2)c(CO)c1 |
| InChI | InChI=1S/C27H31N5O2.C26H29N5O.C22H29N5O2.C22H28N4O3.2C21H26N4O2.C20H24N4O2.2C19H22N4O2.C15H16N4.C15H15N3O2.C15H15N3O.C14H13N3O/c1-20-7-8-24-25(15-20)30-27(29-24)26-22(19-33)16-23(17-28-26)34-14-13-31-9-11-32(12-10-31)18-21-5-3-2-4-6-21;1-20-7-9-23-25(17-20)29-26(28-23)24-10-8-22(18-27-24)32-16-15-30-11-13-31(14-12-30)19-21-5-3-2-4-6-21;1-3-26-6-8-27(9-7-26)10-11-29-18-13-17(15-28)21(23-14-18)22-24-19-5-4-16(2)12-20(19)25-22;1-14-4-5-19-20(8-14)25-22(24-19)21-17(13-27)9-18(10-23-21)28-7-6-26-11-15(2)29-16(3)12-26;2*1-15-5-6-18-19(11-15)24-21(23-18)20-16(14-26)12-17(13-22-20)27-10-9-25-7-3-2-4-8-25;1-14-4-5-17-18(10-14)23-20(22-17)19-15(13-25)11-16(12-21-19)26-9-8-24-6-2-3-7-24;1-14-2-4-16-18(12-14)22-19(21-16)17-5-3-15(13-20-17)25-11-8-23-6-9-24-10-7-23;1-14-4-5-15-16(13-14)22-19(21-15)18-17(3-2-6-20-18)25-12-9-23-7-10-24-11-8-23;1-10-6-7-11-12(9-10)18-15(17-11)14-13(19(2)3)5-4-8-16-14;1-9-3-4-11-12(7-9)18-15(17-11)14-10(8-19)13(20-2)5-6-16-14;1-9-3-4-12-13(6-9)18-15(17-12)14-11(8-19)5-10(2)7-16-14;1-9-4-5-11-12(7-9)17-14(16-11)13-10(8-18)3-2-6-15-13/h2-8,15-17,33H,9-14,18-19H2,1H3,(H,29,30);2-10,17-18H,11-16,19H2,1H3,(H,28,29);4-5,12-14,28H,3,6-11,15H2,1-2H3,(H,24,25);4-5,8-10,15-16,27H,6-7,11-13H2,1-3H3,(H,24,25);2*5-6,11-13,26H,2-4,7-10,14H2,1H3,(H,23,24);4-5,10-12,25H,2-3,6-9,13H2,1H3,(H,22,23);2-5,12-13H,6-11H2,1H3,(H,21,22);2-6,13H,7-12H2,1H3,(H,21,22);4-9H,1-3H3,(H,17,18);3-7,19H,8H2,1-2H3,(H,17,18);3-7,19H,8H2,1-2H3,(H,17,18);2-7,18H,8H2,1H3,(H,16,17) |
| InChIKey | BFEQUTPUUQTCDS-UHFFFAOYSA-N |
| XLogP | 38.47 |
| TPSA | 884.59 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 61 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 330 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4453.53 |
| LogP ≤ 5 | 38.47 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 61 |