C152H191F22N29O6Si6 — CID 157290086
2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;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-pyridin-4-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;trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 157290086) has the molecular formula C152H191F22N29O6Si6 and a molecular weight of 3106.87 g/mol. Its IUPAC name is 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;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-pyridin-4-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;trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane.
| Compound Name | 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;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-pyridin-4-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;trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane |
|---|---|
| PubChem CID | 157290086 |
| Molecular Formula | C152H191F22N29O6Si6 |
| Molecular Weight | 3106.87 g/mol |
| Exact Mass | 3104.38 |
| IUPAC Name | 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;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-pyridin-4-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;trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane |
| SMILES | C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2cc(C(F)(F)F)ccn2)CC1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccc(F)cc2)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(c2ccncc2)CC1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ncccn2)CC1 |
| InChI | InChI=1S/C26H31F6N5OSi.C26H32F4N4OSi.C26H33F3N4OSi.2C25H32F3N5OSi.C24H31F3N6OSi/c1-39(2,3)14-13-38-18-37-17-22(19-5-4-6-20(15-19)25(27,28)29)34-24(37)36-11-9-35(10-12-36)23-16-21(7-8-33-23)26(30,31)32;1-36(2,3)16-15-35-19-34-18-24(20-5-4-6-21(17-20)26(28,29)30)31-25(34)33-13-11-32(12-14-33)23-9-7-22(27)8-10-23;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)16-15-34-19-33-18-23(20-5-4-6-21(17-20)25(26,27)28)30-24(33)32-13-11-31(12-14-32)22-7-9-29-10-8-22;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/h4-8,15-17H,9-14,18H2,1-3H3;4-10,17-18H,11-16,19H2,1-3H3;4-11,18-19H,12-17,20H2,1-3H3;4-9,16-18H,10-15,19H2,1-3H3;4-10,17-18H,11-16,19H2,1-3H3;4-9,16-17H,10-15,18H2,1-3H3 |
| InChIKey | BARSLWMIESXCCK-UHFFFAOYSA-N |
| XLogP | 35.38 |
| TPSA | 265.63 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 215 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3106.87 |
| LogP ≤ 5 | 35.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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