2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

C139H97Cl16F3N32O12 — CID 159065002

IUPAC2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1cc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc(CO)c1CO.COc1cc(CO)cc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)[nH]n1.Clc1cc2nc(-c3cc(-c4ccc5c(c4)OCO5)n[nH]3)[nH]c2cc1Cl.Fc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1.Fc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1F.OCc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1CO
InChIInChI=1S/C19H16Cl2N4O3.3C18H14Cl2N4O2.C17H10Cl2N4O2.C17H12Cl2N4O.C16H8Cl2F2N4.C16H9Cl2FN4/c1-28-18-3-9(2-10(7-26)11(18)8-27)14-6-17(25-24-14)19-22-15-4-12(20)13(21)5-16(15)23-19;1-26-11-3-9(8-25)2-10(4-11)14-7-17(24-23-14)18-21-15-5-12(19)13(20)6-16(15)22-18;1-26-17-4-9(8-25)2-3-10(17)13-7-16(24-23-13)18-21-14-5-11(19)12(20)6-15(14)22-18;19-12-4-15-16(5-13(12)20)22-18(21-15)17-6-14(23-24-17)9-1-2-10(7-25)11(3-9)8-26;18-9-4-12-13(5-10(9)19)21-17(20-12)14-6-11(22-23-14)8-1-2-15-16(3-8)25-7-24-15;18-11-5-14-15(6-12(11)19)21-17(20-14)16-7-13(22-23-16)10-3-1-9(8-24)2-4-10;17-8-4-13-14(5-9(8)18)22-16(21-13)15-6-12(23-24-15)7-1-2-10(19)11(20)3-7;17-10-5-13-14(6-11(10)18)21-16(20-13)15-7-12(22-23-15)8-1-3-9(19)4-2-8/h2-6,26-27H,7-8H2,1H3,(H,22,23)(H,24,25);2*2-7,25H,8H2,1H3,(H,21,22)(H,23,24);1-6,25-26H,7-8H2,(H,21,22)(H,23,24);1-6H,7H2,(H,20,21)(H,22,23);1-7,24H,8H2,(H,20,21)(H,22,23);1-6H,(H,21,22)(H,23,24);1-7H,(H,20,21)(H,22,23)
InChIKeyJYYDWRSIUBJQIY-UHFFFAOYSA-N
MW3031.76 g/mol
LogP36.03
Rot. Bonds26

About 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 159065002) has the molecular formula C139H97Cl16F3N32O12 and a molecular weight of 3031.76 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID159065002
Molecular FormulaC139H97Cl16F3N32O12
Molecular Weight3031.76 g/mol
Exact Mass3022.29
IUPAC Name2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1cc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc(CO)c1CO.COc1cc(CO)cc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)[nH]n1.Clc1cc2nc(-c3cc(-c4ccc5c(c4)OCO5)n[nH]3)[nH]c2cc1Cl.Fc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1.Fc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1F.OCc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1CO
InChIInChI=1S/C19H16Cl2N4O3.3C18H14Cl2N4O2.C17H10Cl2N4O2.C17H12Cl2N4O.C16H8Cl2F2N4.C16H9Cl2FN4/c1-28-18-3-9(2-10(7-26)11(18)8-27)14-6-17(25-24-14)19-22-15-4-12(20)13(21)5-16(15)23-19;1-26-11-3-9(8-25)2-10(4-11)14-7-17(24-23-14)18-21-15-5-12(19)13(20)6-16(15)22-18;1-26-17-4-9(8-25)2-3-10(17)13-7-16(24-23-13)18-21-14-5-11(19)12(20)6-15(14)22-18;19-12-4-15-16(5-13(12)20)22-18(21-15)17-6-14(23-24-17)9-1-2-10(7-25)11(3-9)8-26;18-9-4-12-13(5-10(9)19)21-17(20-12)14-6-11(22-23-14)8-1-2-15-16(3-8)25-7-24-15;18-11-5-14-15(6-12(11)19)21-17(20-14)16-7-13(22-23-16)10-3-1-9(8-24)2-4-10;17-8-4-13-14(5-9(8)18)22-16(21-13)15-6-12(23-24-15)7-1-2-10(19)11(20)3-7;17-10-5-13-14(6-11(10)18)21-16(20-13)15-7-12(22-23-15)8-1-3-9(19)4-2-8/h2-6,26-27H,7-8H2,1H3,(H,22,23)(H,24,25);2*2-7,25H,8H2,1H3,(H,21,22)(H,23,24);1-6,25-26H,7-8H2,(H,21,22)(H,23,24);1-6H,7H2,(H,20,21)(H,22,23);1-7,24H,8H2,(H,20,21)(H,22,23);1-6H,(H,21,22)(H,23,24);1-7H,(H,20,21)(H,22,23)
InChIKeyJYYDWRSIUBJQIY-UHFFFAOYSA-N
XLogP36.03
TPSA646.64 Ų
H-Bond Donors23
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003031.76
LogP ≤ 536.03
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1028

Analyze 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole with MolForge

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Related Compounds

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
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-[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
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;2-[3-(3,4-dimethylphenyl)-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 158393909
2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-bromo-6-methyl-1H-benzimidazole;5-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;5-bromo-2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;5-bromo-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;5-bromo-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole;[4-[5-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-fluorophenyl]methanol;5-bromo-6-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 158458233
[5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-fluoro-6-methyl-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 158696379
2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-chloro-6-fluoro-1H-benzimidazole;[5-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-chloro-6-fluoro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-6-nitro-1H-benzimidazole
CID 158989313
[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
2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-methoxy-1H-benzimidazole;6-chloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;[2-(hydroxymethyl)-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[2-(hydroxymethyl)-3-methoxy-5-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;[3-methoxy-5-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 159456125

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (CID 159065002) is 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is COc1cc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc(CO)c1CO.COc1cc(CO)cc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)[nH]n1.Clc1cc2nc(-c3cc(-c4ccc5c(c4)OCO5)n[nH]3)[nH]c2cc1Cl.Fc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1.Fc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1F.OCc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1.OCc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1CO.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is JYYDWRSIUBJQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3.3C18H14Cl2N4O2.C17H10Cl2N4O2.C17H12Cl2N4O.C16H8Cl2F2N4.C16H9Cl2FN4/c1-28-18-3-9(2-10(7-26)11(18)8-27)14-6-17(25-24-14)19-22-15-4-12(20)13(21)5-16(15)23-19;1-26-11-3-9(8-25)2-10(4-11)14-7-17(24-23-14)18-21-15-5-12(19)13(20)6-16(15)22-18;1-26-17-4-9(8-25)2-3-10(17)13-7-16(24-23-13)18-21-14-5-11(19)12(20)6-15(14)22-18;19-12-4-15-16(5-13(12)20)22-18(21-15)17-6-14(23-24-17)9-1-2-10(7-25)11(3-9)8-26;18-9-4-12-13(5-10(9)19)21-17(20-12)14-6-11(22-23-14)8-1-2-15-16(3-8)25-7-24-15;18-11-5-14-15(6-12(11)19)21-17(20-14)16-7-13(22-23-16)10-3-1-9(8-24)2-4-10;17-8-4-13-14(5-9(8)18)22-16(21-13)15-6-12(23-24-15)7-1-2-10(19)11(20)3-7;17-10-5-13-14(6-11(10)18)21-16(20-13)15-7-12(22-23-15)8-1-3-9(19)4-2-8/h2-6,26-27H,7-8H2,1H3,(H,22,23)(H,24,25);2*2-7,25H,8H2,1H3,(H,21,22)(H,23,24);1-6,25-26H,7-8H2,(H,21,22)(H,23,24);1-6H,7H2,(H,20,21)(H,22,23);1-7,24H,8H2,(H,20,21)(H,22,23);1-6H,(H,21,22)(H,23,24);1-7H,(H,20,21)(H,22,23).
What are the key properties of 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 3031.76 g/mol, XLogP of 36.03, 26 rotatable bonds, 23 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5,6-dichloro-1H-benzimidazole;[5-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5,6-dichloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole;5,6-dichloro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 159065002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).