[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

C106H92N24O10 — CID 158997077

IUPAC[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
SMILESCOc1cc(-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
InChIInChI=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)
InChIKeyJQWFLVXOFQILIU-UHFFFAOYSA-N
MW1862.06 g/mol
LogP18.19
Rot. Bonds22

About [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

[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.

Molecular Properties

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 CID158997077
Molecular FormulaC106H92N24O10
Molecular Weight1862.06 g/mol
Exact Mass1860.74
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
SMILESCOc1cc(-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
InChIInChI=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)
InChIKeyJQWFLVXOFQILIU-UHFFFAOYSA-N
XLogP18.19
TPSA513.46 Ų
H-Bond Donors19
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001862.06
LogP ≤ 518.19
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1022

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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 (CID 158997077) 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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is 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.
What is the InChIKey of [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?
The InChIKey is JQWFLVXOFQILIU-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of [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?
[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 has a molecular weight of 1862.06 g/mol, XLogP of 18.19, 22 rotatable bonds, 19 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158997077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).