C106H92N24O10 — CID 158997077
[5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole (PubChem CID 158997077) has the molecular formula C106H92N24O10 and a molecular weight of 1862.06 g/mol. Its IUPAC name is [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole.
| Compound Name | [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole |
|---|---|
| PubChem CID | 158997077 |
| Molecular Formula | C106H92N24O10 |
| Molecular Weight | 1862.06 g/mol |
| Exact Mass | 1860.74 |
| IUPAC Name | [5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole |
| SMILES | COc1cc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc(CO)c1CO.COc1cc(CO)cc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3ccccc3[nH]2)[nH]n1.OCc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1CO.c1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1 |
| InChI | InChI=1S/C19H18N4O3.3C18H16N4O2.C17H14N4O.C16H12N4/c1-26-18-7-11(6-12(9-24)13(18)10-25)16-8-17(23-22-16)19-20-14-4-2-3-5-15(14)21-19;1-24-13-7-11(10-23)6-12(8-13)16-9-17(22-21-16)18-19-14-4-2-3-5-15(14)20-18;1-24-17-8-11(10-23)6-7-12(17)15-9-16(22-21-15)18-19-13-4-2-3-5-14(13)20-18;23-9-12-6-5-11(7-13(12)10-24)16-8-17(22-21-16)18-19-14-3-1-2-4-15(14)20-18;22-10-11-5-7-12(8-6-11)15-9-16(21-20-15)17-18-13-3-1-2-4-14(13)19-17;1-2-6-11(7-3-1)14-10-15(20-19-14)16-17-12-8-4-5-9-13(12)18-16/h2-8,24-25H,9-10H2,1H3,(H,20,21)(H,22,23);2*2-9,23H,10H2,1H3,(H,19,20)(H,21,22);1-8,23-24H,9-10H2,(H,19,20)(H,21,22);1-9,22H,10H2,(H,18,19)(H,20,21);1-10H,(H,17,18)(H,19,20) |
| InChIKey | JQWFLVXOFQILIU-UHFFFAOYSA-N |
| XLogP | 18.19 |
| TPSA | 513.46 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 140 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1862.06 |
| LogP ≤ 5 | 18.19 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 22 |