[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

C137H103Cl7F4N32O8 — CID 161386373

IUPAC[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1cc(CO)cc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3ccc(Cl)cc3[nH]2)[nH]n1.Cc1ccc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc1.Clc1ccc2nc(-c3cc(-c4ccccc4)n[nH]3)[nH]c2c1.Fc1ccc2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)[nH]c2c1.OCc1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)[nH]n2)cc1CO.OCc1ccc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)c(F)c1
InChIInChI=1S/3C18H15ClN4O2.C17H13ClN4O.C17H12F2N4O.C17H13FN4.C16H9Cl2FN4.C16H11ClN4/c1-25-17-6-10(9-24)2-4-12(17)14-8-16(23-22-14)18-20-13-5-3-11(19)7-15(13)21-18;1-25-13-5-10(9-24)4-11(6-13)15-8-17(23-22-15)18-20-14-3-2-12(19)7-16(14)21-18;19-13-3-4-14-16(6-13)21-18(20-14)17-7-15(22-23-17)10-1-2-11(8-24)12(5-10)9-25;18-12-5-6-13-15(7-12)20-17(19-13)16-8-14(21-22-16)11-3-1-10(9-23)2-4-11;18-10-2-4-13-15(6-10)21-17(20-13)16-7-14(22-23-16)11-3-1-9(8-24)5-12(11)19;1-10-2-4-11(5-3-10)14-9-16(22-21-14)17-19-13-7-6-12(18)8-15(13)20-17;17-10-3-1-8(5-11(10)18)13-7-15(23-22-13)16-20-12-4-2-9(19)6-14(12)21-16;17-11-6-7-12-14(8-11)19-16(18-12)15-9-13(20-21-15)10-4-2-1-3-5-10/h2*2-8,24H,9H2,1H3,(H,20,21)(H,22,23);1-7,24-25H,8-9H2,(H,20,21)(H,22,23);1-8,23H,9H2,(H,19,20)(H,21,22);1-7,24H,8H2,(H,20,21)(H,22,23);2-9H,1H3,(H,19,20)(H,21,22);1-7H,(H,20,21)(H,22,23);1-9H,(H,18,19)(H,20,21)
InChIKeyVSKCJUGQIQDPQB-UHFFFAOYSA-N
MW2649.71 g/mol
LogP31.37
Rot. Bonds24

About [4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 161386373) has the molecular formula C137H103Cl7F4N32O8 and a molecular weight of 2649.71 g/mol. Its IUPAC name is [4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID161386373
Molecular FormulaC137H103Cl7F4N32O8
Molecular Weight2649.71 g/mol
Exact Mass2644.64
IUPAC Name[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1cc(CO)cc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3ccc(Cl)cc3[nH]2)[nH]n1.Cc1ccc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc1.Clc1ccc2nc(-c3cc(-c4ccccc4)n[nH]3)[nH]c2c1.Fc1ccc2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)[nH]c2c1.OCc1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)[nH]n2)cc1CO.OCc1ccc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)c(F)c1
InChIInChI=1S/3C18H15ClN4O2.C17H13ClN4O.C17H12F2N4O.C17H13FN4.C16H9Cl2FN4.C16H11ClN4/c1-25-17-6-10(9-24)2-4-12(17)14-8-16(23-22-14)18-20-13-5-3-11(19)7-15(13)21-18;1-25-13-5-10(9-24)4-11(6-13)15-8-17(23-22-15)18-20-14-3-2-12(19)7-16(14)21-18;19-13-3-4-14-16(6-13)21-18(20-14)17-7-15(22-23-17)10-1-2-11(8-24)12(5-10)9-25;18-12-5-6-13-15(7-12)20-17(19-13)16-8-14(21-22-16)11-3-1-10(9-23)2-4-11;18-10-2-4-13-15(6-10)21-17(20-13)16-7-14(22-23-16)11-3-1-9(8-24)5-12(11)19;1-10-2-4-11(5-3-10)14-9-16(22-21-14)17-19-13-7-6-12(18)8-15(13)20-17;17-10-3-1-8(5-11(10)18)13-7-15(23-22-13)16-20-12-4-2-9(19)6-14(12)21-16;17-11-6-7-12-14(8-11)19-16(18-12)15-9-13(20-21-15)10-4-2-1-3-5-10/h2*2-8,24H,9H2,1H3,(H,20,21)(H,22,23);1-7,24-25H,8-9H2,(H,20,21)(H,22,23);1-8,23H,9H2,(H,19,20)(H,21,22);1-7,24H,8H2,(H,20,21)(H,22,23);2-9H,1H3,(H,19,20)(H,21,22);1-7H,(H,20,21)(H,22,23);1-9H,(H,18,19)(H,20,21)
InChIKeyVSKCJUGQIQDPQB-UHFFFAOYSA-N
XLogP31.37
TPSA598.72 Ų
H-Bond Donors22
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002649.71
LogP ≤ 531.37
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1024

Analyze [4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole with MolForge

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Launch Full Analysis

Related Compounds

[4-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol
CID 136960168
[5-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 136960169
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
[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;5,6-dichloro-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;[2-(hydroxymethyl)-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol;2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole;[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]methanol
CID 160418403
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
[5-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 136960139
[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 136960149
[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol
CID 136960151
[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;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;[4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 157506002
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

Frequently Asked Questions

What is the IUPAC name of [4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of [4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (CID 161386373) is [4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for [4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for [4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is COc1cc(CO)cc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3ccc(Cl)cc3[nH]2)[nH]n1.Cc1ccc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc1.Clc1ccc2nc(-c3cc(-c4ccccc4)n[nH]3)[nH]c2c1.Fc1ccc2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)[nH]c2c1.OCc1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)[nH]n2)cc1CO.OCc1ccc(-c2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)c(F)c1.
What is the InChIKey of [4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is VSKCJUGQIQDPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15ClN4O2.C17H13ClN4O.C17H12F2N4O.C17H13FN4.C16H9Cl2FN4.C16H11ClN4/c1-25-17-6-10(9-24)2-4-12(17)14-8-16(23-22-14)18-20-13-5-3-11(19)7-15(13)21-18;1-25-13-5-10(9-24)4-11(6-13)15-8-17(23-22-15)18-20-14-3-2-12(19)7-16(14)21-18;19-13-3-4-14-16(6-13)21-18(20-14)17-7-15(22-23-17)10-1-2-11(8-24)12(5-10)9-25;18-12-5-6-13-15(7-12)20-17(19-13)16-8-14(21-22-16)11-3-1-10(9-23)2-4-11;18-10-2-4-13-15(6-10)21-17(20-13)16-7-14(22-23-16)11-3-1-9(8-24)5-12(11)19;1-10-2-4-11(5-3-10)14-9-16(22-21-14)17-19-13-7-6-12(18)8-15(13)20-17;17-10-3-1-8(5-11(10)18)13-7-15(23-22-13)16-20-12-4-2-9(19)6-14(12)21-16;17-11-6-7-12-14(8-11)19-16(18-12)15-9-13(20-21-15)10-4-2-1-3-5-10/h2*2-8,24H,9H2,1H3,(H,20,21)(H,22,23);1-7,24-25H,8-9H2,(H,20,21)(H,22,23);1-8,23H,9H2,(H,19,20)(H,21,22);1-7,24H,8H2,(H,20,21)(H,22,23);2-9H,1H3,(H,19,20)(H,21,22);1-7H,(H,20,21)(H,22,23);1-9H,(H,18,19)(H,20,21).
What are the key properties of [4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 2649.71 g/mol, XLogP of 31.37, 24 rotatable bonds, 22 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 161386373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).