3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane

C88H110B2Br3ClN12O9SSi4 — CID 162127570

IUPAC3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane
SMILESBrB(Br)Br.COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4n2COCC[Si](C)(C)C)nn3COCC[Si](C)(C)C)c1.COc1cccc(B(O)O)c1.CSC.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(Cl)ccc21.Oc1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1
InChIInChI=1S/C33H44N4O3Si2.C26H37ClN4O2Si2.C20H14N4O.C7H9BO3.C2H6S.BBr3/c1-38-27-12-10-11-25(21-27)26-15-16-30-28(22-26)32(35-37(30)24-40-18-20-42(5,6)7)33-34-29-13-8-9-14-31(29)36(33)23-39-17-19-41(2,3)4;1-34(2,3)15-13-32-18-30-24-10-8-7-9-22(24)28-26(30)25-21-17-20(27)11-12-23(21)31(29-25)19-33-14-16-35(4,5)6;25-14-5-3-4-12(10-14)13-8-9-16-15(11-13)19(24-23-16)20-21-17-6-1-2-7-18(17)22-20;1-11-7-4-2-3-6(5-7)8(9)10;1-3-2;2-1(3)4/h8-16,21-22H,17-20,23-24H2,1-7H3;7-12,17H,13-16,18-19H2,1-6H3;1-11,25H,(H,21,22)(H,23,24);2-5,9-10H,1H3;1-2H3;
InChIKeyZIFWNHYROLSYIT-UHFFFAOYSA-N
MW1921.12 g/mol
LogP22.67
Rot. Bonds28

About 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane

3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane (PubChem CID 162127570) has the molecular formula C88H110B2Br3ClN12O9SSi4 and a molecular weight of 1921.12 g/mol. Its IUPAC name is 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane.

Molecular Properties

Compound Name3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane
PubChem CID162127570
Molecular FormulaC88H110B2Br3ClN12O9SSi4
Molecular Weight1921.12 g/mol
Exact Mass1916.47
IUPAC Name3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane
SMILESBrB(Br)Br.COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4n2COCC[Si](C)(C)C)nn3COCC[Si](C)(C)C)c1.COc1cccc(B(O)O)c1.CSC.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(Cl)ccc21.Oc1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1
InChIInChI=1S/C33H44N4O3Si2.C26H37ClN4O2Si2.C20H14N4O.C7H9BO3.C2H6S.BBr3/c1-38-27-12-10-11-25(21-27)26-15-16-30-28(22-26)32(35-37(30)24-40-18-20-42(5,6)7)33-34-29-13-8-9-14-31(29)36(33)23-39-17-19-41(2,3)4;1-34(2,3)15-13-32-18-30-24-10-8-7-9-22(24)28-26(30)25-21-17-20(27)11-12-23(21)31(29-25)19-33-14-16-35(4,5)6;25-14-5-3-4-12(10-14)13-8-9-16-15(11-13)19(24-23-16)20-21-17-6-1-2-7-18(17)22-20;1-11-7-4-2-3-6(5-7)8(9)10;1-3-2;2-1(3)4/h8-16,21-22H,17-20,23-24H2,1-7H3;7-12,17H,13-16,18-19H2,1-6H3;1-11,25H,(H,21,22)(H,23,24);2-5,9-10H,1H3;1-2H3;
InChIKeyZIFWNHYROLSYIT-UHFFFAOYSA-N
XLogP22.67
TPSA244.71 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001921.12
LogP ≤ 522.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane with MolForge

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Related Compounds

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
3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 157420732
3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)-1H-indazole;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane
CID 157927164
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 159236369
3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 159962884
3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-6-(3-hydroxypropyl)-2-methylphenol;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-6-(3-hydroxypropyl)-2-methylphenol
CID 160002549
CID 160747357
CID 160747357
CID 161286468
CID 161286468
CID 161411038
CID 161411038
2-[[3-(1H-benzimidazol-2-yl)-5-[2,6-difluoro-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;dichloromethane;2,4-difluorophenol;2-[(2,4-difluorophenoxy)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane
CID 161582348
3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 161640446
CID 161660113
CID 161660113

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane?
The IUPAC name of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane (CID 162127570) is 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane.
What is the SMILES notation for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane?
The canonical SMILES for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane is BrB(Br)Br.COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4n2COCC[Si](C)(C)C)nn3COCC[Si](C)(C)C)c1.COc1cccc(B(O)O)c1.CSC.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(Cl)ccc21.Oc1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1.
What is the InChIKey of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane?
The InChIKey is ZIFWNHYROLSYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O3Si2.C26H37ClN4O2Si2.C20H14N4O.C7H9BO3.C2H6S.BBr3/c1-38-27-12-10-11-25(21-27)26-15-16-30-28(22-26)32(35-37(30)24-40-18-20-42(5,6)7)33-34-29-13-8-9-14-31(29)36(33)23-39-17-19-41(2,3)4;1-34(2,3)15-13-32-18-30-24-10-8-7-9-22(24)28-26(30)25-21-17-20(27)11-12-23(21)31(29-25)19-33-14-16-35(4,5)6;25-14-5-3-4-12(10-14)13-8-9-16-15(11-13)19(24-23-16)20-21-17-6-1-2-7-18(17)22-20;1-11-7-4-2-3-6(5-7)8(9)10;1-3-2;2-1(3)4/h8-16,21-22H,17-20,23-24H2,1-7H3;7-12,17H,13-16,18-19H2,1-6H3;1-11,25H,(H,21,22)(H,23,24);2-5,9-10H,1H3;1-2H3;.
What are the key properties of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane?
3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane has a molecular weight of 1921.12 g/mol, XLogP of 22.67, 28 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylsulfanylmethane;tribromoborane is sourced from PubChem (CID 162127570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).