C154H198F18N28O6Si6 — CID 159719052
trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;bis(trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane);trimethyl-[2-[[2-(4-pyridin-3-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 159719052) has the molecular formula C154H198F18N28O6Si6 and a molecular weight of 3047.95 g/mol. Its IUPAC name is trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;bis(trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane);trimethyl-[2-[[2-(4-pyridin-3-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.
| Compound Name | trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;bis(trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane);trimethyl-[2-[[2-(4-pyridin-3-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane |
|---|---|
| PubChem CID | 159719052 |
| Molecular Formula | C154H198F18N28O6Si6 |
| Molecular Weight | 3047.95 g/mol |
| Exact Mass | 3045.44 |
| IUPAC Name | trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;bis(trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane);trimethyl-[2-[[2-(4-pyridin-3-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane |
| SMILES | C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccccc2)CC1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccccc2)CC1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2cccnc2)CC1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ncccn2)CC1.Cc1ccc(N2CCN(c3nc(-c4cccc(C(F)(F)F)c4)cn3COCC[Si](C)(C)C)CC2)cc1.Cc1ccnc(N2CCN(c3nc(-c4cccc(C(F)(F)F)c4)cn3COCC[Si](C)(C)C)CC2)c1 |
| InChI | InChI=1S/C27H35F3N4OSi.C26H34F3N5OSi.2C26H33F3N4OSi.C25H32F3N5OSi.C24H31F3N6OSi/c1-21-8-10-24(11-9-21)32-12-14-33(15-13-32)26-31-25(19-34(26)20-35-16-17-36(2,3)4)22-6-5-7-23(18-22)27(28,29)30;1-20-8-9-30-24(16-20)32-10-12-33(13-11-32)25-31-23(18-34(25)19-35-14-15-36(2,3)4)21-6-5-7-22(17-21)26(27,28)29;2*1-35(2,3)17-16-34-20-33-19-24(21-8-7-9-22(18-21)26(27,28)29)30-25(33)32-14-12-31(13-15-32)23-10-5-4-6-11-23;1-35(2,3)15-14-34-19-33-18-23(20-6-4-7-21(16-20)25(26,27)28)30-24(33)32-12-10-31(11-13-32)22-8-5-9-29-17-22;1-35(2,3)15-14-34-18-33-17-21(19-6-4-7-20(16-19)24(25,26)27)30-23(33)32-12-10-31(11-13-32)22-28-8-5-9-29-22/h5-11,18-19H,12-17,20H2,1-4H3;5-9,16-18H,10-15,19H2,1-4H3;2*4-11,18-19H,12-17,20H2,1-3H3;4-9,16-18H,10-15,19H2,1-3H3;4-9,16-17H,10-15,18H2,1-3H3 |
| InChIKey | MZULBZFKXLLJEH-UHFFFAOYSA-N |
| XLogP | 35.44 |
| TPSA | 252.74 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 212 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3047.95 |
| LogP ≤ 5 | 35.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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