C165H115F7N16O20 — CID 158328827
2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-methoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(3-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 158328827) has the molecular formula C165H115F7N16O20 and a molecular weight of 2774.81 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-methoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(3-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid.
| Compound Name | 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-methoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(3-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid |
|---|---|
| PubChem CID | 158328827 |
| Molecular Formula | C165H115F7N16O20 |
| Molecular Weight | 2774.81 g/mol |
| Exact Mass | 2772.84 |
| IUPAC Name | 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-methoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(4-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(3-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid |
| SMILES | COc1cccc(-c2ccc(-c3nc4c(C(=O)O)cccc4[nH]3)cc2)c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1.Cc1ccc(-c2ccc(-c3nc4c(C(=O)O)cccc4[nH]3)cc2)cc1.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3cccc(Oc4ccccc4)c3)nc12 |
| InChI | InChI=1S/C21H13F3N2O3.C21H13F3N2O2.C21H16N2O3.2C21H16N2O2.C20H13FN2O2.2C20H14N2O3/c22-21(23,24)29-15-10-8-13(9-11-15)12-4-6-14(7-5-12)19-25-17-3-1-2-16(20(27)28)18(17)26-19;22-21(23,24)15-10-8-13(9-11-15)12-4-6-14(7-5-12)19-25-17-3-1-2-16(20(27)28)18(17)26-19;1-26-16-5-2-4-15(12-16)13-8-10-14(11-9-13)20-22-18-7-3-6-17(21(24)25)19(18)23-20;1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)20-22-18-4-2-3-17(21(24)25)19(18)23-20;1-13-11-17(21(24)25)19-18(12-13)22-20(23-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14;21-16-6-2-1-4-14(16)12-8-10-13(11-9-12)19-22-17-7-3-5-15(20(24)25)18(17)23-19;23-20(24)16-10-5-11-17-18(16)22-19(21-17)13-6-4-9-15(12-13)25-14-7-2-1-3-8-14;23-20(24)16-7-4-8-17-18(16)22-19(21-17)13-9-11-15(12-10-13)25-14-5-2-1-3-6-14/h1-11H,(H,25,26)(H,27,28);1-11H,(H,25,26)(H,27,28);2-12H,1H3,(H,22,23)(H,24,25);2*2-12H,1H3,(H,22,23)(H,24,25);1-11H,(H,22,23)(H,24,25);2*1-12H,(H,21,22)(H,23,24) |
| InChIKey | GPTDUAFNRYILTR-UHFFFAOYSA-N |
| XLogP | 39.69 |
| TPSA | 564.76 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2774.81 |
| LogP ≤ 5 | 39.69 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 20 |