C89H54Br5Cl3F16N20O — CID 161096281
5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol (PubChem CID 161096281) has the molecular formula C89H54Br5Cl3F16N20O and a molecular weight of 2229.40 g/mol. Its IUPAC name is 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol.
| Compound Name | 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol |
|---|---|
| PubChem CID | 161096281 |
| Molecular Formula | C89H54Br5Cl3F16N20O |
| Molecular Weight | 2229.40 g/mol |
| Exact Mass | 2221.95 |
| IUPAC Name | 5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-fluorophenyl]methanol |
| SMILES | Cc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)cc1.Cc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)cc1C.FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)nc2cc1Br.FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccc(Cl)cc4)n[nH]3)nc2cc1Br.OCc1ccc(-c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)[nH]n2)c(F)c1 |
| InChI | InChI=1S/C19H14BrF3N4.C18H11BrF4N4O.C18H12BrF3N4.C17H8BrCl2F3N4.C17H9BrClF3N4/c1-9-3-4-11(5-10(9)2)14-8-17(27-26-14)18-24-15-6-12(19(21,22)23)13(20)7-16(15)25-18;19-11-5-15-14(4-10(11)18(21,22)23)24-17(25-15)16-6-13(26-27-16)9-2-1-8(7-28)3-12(9)20;1-9-2-4-10(5-3-9)13-8-16(26-25-13)17-23-14-6-11(18(20,21)22)12(19)7-15(14)24-17;18-9-5-14-13(4-8(9)17(21,22)23)24-16(25-14)15-6-12(26-27-15)7-1-2-10(19)11(20)3-7;18-11-6-14-13(5-10(11)17(20,21)22)23-16(24-14)15-7-12(25-26-15)8-1-3-9(19)4-2-8/h3-8H,1-2H3,(H,24,25)(H,26,27);1-6,28H,7H2,(H,24,25)(H,26,27);2-8H,1H3,(H,23,24)(H,25,26);1-6H,(H,24,25)(H,26,27);1-7H,(H,23,24)(H,25,26) |
| InChIKey | UHVJOJNUWPEGKH-UHFFFAOYSA-N |
| XLogP | 29.52 |
| TPSA | 307.03 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 134 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2229.40 |
| LogP ≤ 5 | 29.52 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 11 |