C185H195Cl17F9N33O5 — CID 159140486
4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)pyrazole;1-chloro-2-fluoro-3-propan-2-ylbenzene;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylpyrazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole (PubChem CID 159140486) has the molecular formula C185H195Cl17F9N33O5 and a molecular weight of 3734.50 g/mol. Its IUPAC name is 4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)pyrazole;1-chloro-2-fluoro-3-propan-2-ylbenzene;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylpyrazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole.
| Compound Name | 4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)pyrazole;1-chloro-2-fluoro-3-propan-2-ylbenzene;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylpyrazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole |
|---|---|
| PubChem CID | 159140486 |
| Molecular Formula | C185H195Cl17F9N33O5 |
| Molecular Weight | 3734.50 g/mol |
| Exact Mass | 3724.06 |
| IUPAC Name | 4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)pyrazole;1-chloro-2-fluoro-3-propan-2-ylbenzene;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-(difluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylpyrazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)pyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole |
| SMILES | CC(C)c1cc(Cl)ccc1-c1cncnc1.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)F)c1.CC(C)c1cc(Cl)ccc1-n1cc(C(=O)O)cn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)(F)F)cn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C2CC2)nn1.CC(C)c1cc(Cl)ccc1-n1cc(Cl)cn1.CC(C)c1cc(Cl)ccc1-n1cc(O)nn1.CC(C)c1cc(Cl)ccc1-n1cnc(C(=O)O)c1.CC(C)c1cc(Cl)ccc1-n1cnc(Cl)c1.CC(C)c1cccc(Cl)c1F.Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cnn(-c2ccc(Cl)cc2C(C)C)c1 |
| InChI | InChI=1S/C14H16ClN3.C13H12ClF3N2.C13H13ClF2N2.2C13H13ClN2O2.2C13H15ClN2.C13H13ClN2.2C12H12Cl2N2.C12H11ClF3N3.2C12H14ClN3.C11H12ClN3O.C9H10ClF/c1-9(2)12-7-11(15)5-6-14(12)18-8-13(16-17-18)10-3-4-10;1-8(2)11-5-10(14)3-4-12(11)19-7-9(6-18-19)13(15,16)17;1-8(2)12-5-10(14)3-4-11(12)9-6-17-18(7-9)13(15)16;1-8(2)11-5-10(14)3-4-12(11)16-7-9(6-15-16)13(17)18;1-8(2)10-5-9(14)3-4-12(10)16-6-11(13(17)18)15-7-16;1-9(2)12-6-11(14)4-5-13(12)16-7-10(3)15-8-16;1-9(2)12-6-11(14)4-5-13(12)16-8-10(3)7-15-16;1-9(2)13-5-11(14)3-4-12(13)10-6-15-8-16-7-10;1-8(2)11-5-9(13)3-4-12(11)16-7-10(14)6-15-16;1-8(2)10-5-9(13)3-4-11(10)16-6-12(14)15-7-16;1-7(2)9-5-8(13)3-4-10(9)19-6-11(17-18-19)12(14,15)16;2*1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-7(2)9-5-8(12)3-4-10(9)15-6-11(16)13-14-15;1-6(2)7-4-3-5-8(10)9(7)11/h5-10H,3-4H2,1-2H3;3-8H,1-2H3;3-8,13H,1-2H3;2*3-8H,1-2H3,(H,17,18);2*4-9H,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;2*4-8H,1-3H3;3-7,16H,1-2H3;3-6H,1-2H3 |
| InChIKey | KIALNINLRAQRMS-UHFFFAOYSA-N |
| XLogP | 57.57 |
| TPSA | 416.72 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 249 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3734.50 |
| LogP ≤ 5 | 57.57 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 36 |