[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

C112H104N24O10 — CID 159981061

IUPAC[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
SMILESCOc1cc(-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
InChIInChI=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)
InChIKeyOFTVVVVKPZKDJF-UHFFFAOYSA-N
MW1946.22 g/mol
LogP20.04
Rot. Bonds22

About [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

[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.

Molecular Properties

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 CID159981061
Molecular FormulaC112H104N24O10
Molecular Weight1946.22 g/mol
Exact Mass1944.84
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
SMILESCOc1cc(-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
InChIInChI=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)
InChIKeyOFTVVVVKPZKDJF-UHFFFAOYSA-N
XLogP20.04
TPSA513.46 Ų
H-Bond Donors19
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001946.22
LogP ≤ 520.04
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1022

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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 (CID 159981061) 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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is 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.
What is the InChIKey of [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?
The InChIKey is OFTVVVVKPZKDJF-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of [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?
[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 has a molecular weight of 1946.22 g/mol, XLogP of 20.04, 22 rotatable bonds, 19 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159981061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).