[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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole

C139H115FN32O12 — CID 159934906

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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;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.Fc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1CO.c1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.c1ccc2[nH]c(-c3cc(-c4ccc5c(c4)OCO5)n[nH]3)nc2c1
InChIInChI=1S/C19H18N4O3.3C18H16N4O2.C17H12N4O2.C17H14N4O.C16H11FN4.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;1-2-4-12-11(3-1)18-17(19-12)14-8-13(20-21-14)10-5-6-15-16(7-10)23-9-22-15;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;17-11-7-5-10(6-8-11)14-9-15(21-20-14)16-18-12-3-1-2-4-13(12)19-16;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);1-8H,9H2,(H,18,19)(H,20,21);1-9,22H,10H2,(H,18,19)(H,20,21);1-9H,(H,18,19)(H,20,21);1-10H,(H,17,18)(H,19,20)
InChIKeyOACQOOALJAZZBF-UHFFFAOYSA-N
MW2444.66 g/mol
LogP25.30
Rot. Bonds26

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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole (PubChem CID 159934906) has the molecular formula C139H115FN32O12 and a molecular weight of 2444.66 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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
PubChem CID159934906
Molecular FormulaC139H115FN32O12
Molecular Weight2444.66 g/mol
Exact Mass2442.94
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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;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.Fc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1CO.c1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.c1ccc2[nH]c(-c3cc(-c4ccc5c(c4)OCO5)n[nH]3)nc2c1
InChIInChI=1S/C19H18N4O3.3C18H16N4O2.C17H12N4O2.C17H14N4O.C16H11FN4.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;1-2-4-12-11(3-1)18-17(19-12)14-8-13(20-21-14)10-5-6-15-16(7-10)23-9-22-15;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;17-11-7-5-10(6-8-11)14-9-15(21-20-14)16-18-12-3-1-2-4-13(12)19-16;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);1-8H,9H2,(H,18,19)(H,20,21);1-9,22H,10H2,(H,18,19)(H,20,21);1-9H,(H,18,19)(H,20,21);1-10H,(H,17,18)(H,19,20)
InChIKeyOACQOOALJAZZBF-UHFFFAOYSA-N
XLogP25.30
TPSA646.64 Ų
H-Bond Donors23
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002444.66
LogP ≤ 525.30
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1028

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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole with MolForge

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Launch Full Analysis

Related Compounds

[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 136960132
2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[3-fluoro-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-nitro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 158223740
3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylphenol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;5-(2-methylphenyl)-3-phenyl-1H-indazole;3-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 160668635
2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[2-(hydroxymethyl)-3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol
CID 161152664
2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-bromo-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole;[5-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol
CID 161714171
[5-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 136960125
3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid
CID 157254035
2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 158080451
2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole;[3-fluoro-4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 158084500
2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-chloro-1H-benzimidazole;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;[5-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;6-chloro-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;6-chloro-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;6-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;6-chloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;6-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 158100630
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxy-5-methylphenol;2-[[6-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 158190440
[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 158215885

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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole (CID 159934906) 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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;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.Fc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1CO.c1ccc(-c2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1.c1ccc2[nH]c(-c3cc(-c4ccc5c(c4)OCO5)n[nH]3)nc2c1.
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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole?
The InChIKey is OACQOOALJAZZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3.3C18H16N4O2.C17H12N4O2.C17H14N4O.C16H11FN4.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;1-2-4-12-11(3-1)18-17(19-12)14-8-13(20-21-14)10-5-6-15-16(7-10)23-9-22-15;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;17-11-7-5-10(6-8-11)14-9-15(21-20-14)16-18-12-3-1-2-4-13(12)19-16;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);1-8H,9H2,(H,18,19)(H,20,21);1-9,22H,10H2,(H,18,19)(H,20,21);1-9H,(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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole has a molecular weight of 2444.66 g/mol, XLogP of 25.30, 26 rotatable bonds, 23 hydrogen bond donors, and 28 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-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 159934906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).