C141H105Cl3F12N32O3 — CID 158084500
2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 158084500) has the molecular formula C141H105Cl3F12N32O3 and a molecular weight of 2629.95 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.
| Compound Name | 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole |
|---|---|
| PubChem CID | 158084500 |
| Molecular Formula | C141H105Cl3F12N32O3 |
| Molecular Weight | 2629.95 g/mol |
| Exact Mass | 2626.79 |
| IUPAC Name | 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole |
| SMILES | Cc1cc2[nH]c(-c3cc(-c4ccc(CO)cc4F)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccc(Cl)cc4)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccc(F)cc4)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccc5c(c4)OCO5)n[nH]3)nc2cc1F.Cc1ccc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)cc1.Cc1ccc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)cc1C |
| InChI | InChI=1S/C19H17FN4.C18H14F2N4O.C18H13FN4O2.C18H15FN4.C17H11Cl2FN4.C17H12ClFN4.C17H11F3N4.C17H12F2N4/c1-10-4-5-13(6-11(10)2)15-9-18(24-23-15)19-21-16-7-12(3)14(20)8-17(16)22-19;1-9-4-15-16(6-12(9)19)22-18(21-15)17-7-14(23-24-17)11-3-2-10(8-25)5-13(11)20;1-9-4-13-14(6-11(9)19)21-18(20-13)15-7-12(22-23-15)10-2-3-16-17(5-10)25-8-24-16;1-10-3-5-12(6-4-10)14-9-17(23-22-14)18-20-15-7-11(2)13(19)8-16(15)21-18;1-8-4-14-15(6-12(8)20)22-17(21-14)16-7-13(23-24-16)9-2-3-10(18)11(19)5-9;1-9-6-14-15(7-12(9)19)21-17(20-14)16-8-13(22-23-16)10-2-4-11(18)5-3-10;1-8-4-14-15(6-11(8)19)22-17(21-14)16-7-13(23-24-16)9-2-3-10(18)12(20)5-9;1-9-6-14-15(7-12(9)19)21-17(20-14)16-8-13(22-23-16)10-2-4-11(18)5-3-10/h4-9H,1-3H3,(H,21,22)(H,23,24);2-7,25H,8H2,1H3,(H,21,22)(H,23,24);2-7H,8H2,1H3,(H,20,21)(H,22,23);3-9H,1-2H3,(H,20,21)(H,22,23);2-7H,1H3,(H,21,22)(H,23,24);2-8H,1H3,(H,20,21)(H,22,23);2-7H,1H3,(H,21,22)(H,23,24);2-8H,1H3,(H,20,21)(H,22,23) |
| InChIKey | FNIPQYPEJHKLTA-UHFFFAOYSA-N |
| XLogP | 35.20 |
| TPSA | 497.57 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2629.95 |
| LogP ≤ 5 | 35.20 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 19 |