C112H98F6N24O10 — CID 158696379
[5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-fluoro-6-methyl-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole (PubChem CID 158696379) has the molecular formula C112H98F6N24O10 and a molecular weight of 2054.16 g/mol. Its IUPAC name is [5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-fluoro-6-methyl-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole.
| Compound Name | [5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-fluoro-6-methyl-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole |
|---|---|
| PubChem CID | 158696379 |
| Molecular Formula | C112H98F6N24O10 |
| Molecular Weight | 2054.16 g/mol |
| Exact Mass | 2052.78 |
| IUPAC Name | [5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-fluoro-6-methyl-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole |
| SMILES | COc1cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)cc(CO)c1CO.COc1cc(CO)cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3cc(F)c(C)cc3[nH]2)[nH]n1.Cc1cc2[nH]c(-c3cc(-c4ccc(CO)c(CO)c4)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccc(CO)cc4)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccccc4)n[nH]3)nc2cc1F |
| InChI | InChI=1S/C20H19FN4O3.3C19H17FN4O2.C18H15FN4O.C17H13FN4/c1-10-3-16-17(6-14(10)21)23-20(22-16)18-7-15(24-25-18)11-4-12(8-26)13(9-27)19(5-11)28-2;1-10-3-16-17(7-14(10)20)22-19(21-16)18-8-15(23-24-18)12-4-11(9-25)5-13(6-12)26-2;1-10-5-15-16(7-13(10)20)22-19(21-15)17-8-14(23-24-17)12-4-3-11(9-25)6-18(12)26-2;1-10-4-16-17(6-14(10)20)22-19(21-16)18-7-15(23-24-18)11-2-3-12(8-25)13(5-11)9-26;1-10-6-15-16(7-13(10)19)21-18(20-15)17-8-14(22-23-17)12-4-2-11(9-24)3-5-12;1-10-7-14-15(8-12(10)18)20-17(19-14)16-9-13(21-22-16)11-5-3-2-4-6-11/h3-7,26-27H,8-9H2,1-2H3,(H,22,23)(H,24,25);2*3-8,25H,9H2,1-2H3,(H,21,22)(H,23,24);2-7,25-26H,8-9H2,1H3,(H,21,22)(H,23,24);2-8,24H,9H2,1H3,(H,20,21)(H,22,23);2-9H,1H3,(H,19,20)(H,21,22) |
| InChIKey | IGZQAVHVPWWHMC-UHFFFAOYSA-N |
| XLogP | 20.88 |
| TPSA | 513.46 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2054.16 |
| LogP ≤ 5 | 20.88 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 22 |