C112H104N24O10 — CID 159981061
[2-(hydroxymethyl)-3-methoxy-5-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-methyl-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole (PubChem CID 159981061) has the molecular formula C112H104N24O10 and a molecular weight of 1946.22 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-methoxy-5-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-methyl-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole.
| Compound Name | [2-(hydroxymethyl)-3-methoxy-5-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-methyl-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole |
|---|---|
| PubChem CID | 159981061 |
| Molecular Formula | C112H104N24O10 |
| Molecular Weight | 1946.22 g/mol |
| Exact Mass | 1944.84 |
| IUPAC Name | [2-(hydroxymethyl)-3-methoxy-5-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-methyl-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole |
| SMILES | COc1cc(-c2cc(-c3nc4ccc(C)cc4[nH]3)[nH]n2)cc(CO)c1CO.COc1cc(CO)cc(-c2cc(-c3nc4ccc(C)cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3ccc(C)cc3[nH]2)[nH]n1.Cc1ccc2nc(-c3cc(-c4ccc(CO)c(CO)c4)n[nH]3)[nH]c2c1.Cc1ccc2nc(-c3cc(-c4ccc(CO)cc4)n[nH]3)[nH]c2c1.Cc1ccc2nc(-c3cc(-c4ccccc4)n[nH]3)[nH]c2c1 |
| InChI | InChI=1S/C20H20N4O3.3C19H18N4O2.C18H16N4O.C17H14N4/c1-11-3-4-15-17(5-11)22-20(21-15)18-8-16(23-24-18)12-6-13(9-25)14(10-26)19(7-12)27-2;1-11-3-6-14-16(7-11)21-19(20-14)17-9-15(22-23-17)13-5-4-12(10-24)8-18(13)25-2;1-11-3-4-15-17(5-11)21-19(20-15)18-9-16(22-23-18)13-6-12(10-24)7-14(8-13)25-2;1-11-2-5-15-17(6-11)21-19(20-15)18-8-16(22-23-18)12-3-4-13(9-24)14(7-12)10-25;1-11-2-7-14-16(8-11)20-18(19-14)17-9-15(21-22-17)13-5-3-12(10-23)4-6-13;1-11-7-8-13-15(9-11)19-17(18-13)16-10-14(20-21-16)12-5-3-2-4-6-12/h3-8,25-26H,9-10H2,1-2H3,(H,21,22)(H,23,24);2*3-9,24H,10H2,1-2H3,(H,20,21)(H,22,23);2-8,24-25H,9-10H2,1H3,(H,20,21)(H,22,23);2-9,23H,10H2,1H3,(H,19,20)(H,21,22);2-10H,1H3,(H,18,19)(H,20,21) |
| InChIKey | OFTVVVVKPZKDJF-UHFFFAOYSA-N |
| XLogP | 20.04 |
| TPSA | 513.46 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1946.22 |
| LogP ≤ 5 | 20.04 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 22 |