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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid

C93H120BIN12O13Si5 — CID 158274986

IUPAC2-[[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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid
SMILESCOc1c(O)cccc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.COc1c(OCOCC[Si](C)(C)C)cccc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.COc1c(OCOCC[Si](C)(C)C)cccc1B(O)O.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21
InChIInChI=1S/C33H44N4O4Si2.C27H30N4O3Si.C20H23IN4OSi.C13H23BO5Si/c1-38-32-25(11-10-14-30(32)41-23-40-18-20-43(5,6)7)24-15-16-29-26(21-24)31(33-34-27-12-8-9-13-28(27)35-33)36-37(29)22-39-17-19-42(2,3)4;1-33-26-19(8-7-11-24(26)32)18-12-13-23-20(16-18)25(27-28-21-9-5-6-10-22(21)29-27)30-31(23)17-34-14-15-35(2,3)4;1-27(2,3)11-10-26-13-25-18-9-8-14(21)12-15(18)19(24-25)20-22-16-6-4-5-7-17(16)23-20;1-17-13-11(14(15)16)6-5-7-12(13)19-10-18-8-9-20(2,3)4/h8-16,21H,17-20,22-23H2,1-7H3,(H,34,35);5-13,16,32H,14-15,17H2,1-4H3,(H,28,29);4-9,12H,10-11,13H2,1-3H3,(H,22,23);5-7,15-16H,8-10H2,1-4H3
InChIKeyGJMOEOPRDKXRLL-UHFFFAOYSA-N
MW1892.20 g/mol
LogP21.09
Rot. Bonds36

About 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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid

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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid (PubChem CID 158274986) has the molecular formula C93H120BIN12O13Si5 and a molecular weight of 1892.20 g/mol. Its IUPAC name is 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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name2-[[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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid
PubChem CID158274986
Molecular FormulaC93H120BIN12O13Si5
Molecular Weight1892.20 g/mol
Exact Mass1890.71
IUPAC Name2-[[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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid
SMILESCOc1c(O)cccc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.COc1c(OCOCC[Si](C)(C)C)cccc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.COc1c(OCOCC[Si](C)(C)C)cccc1B(O)O.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21
InChIInChI=1S/C33H44N4O4Si2.C27H30N4O3Si.C20H23IN4OSi.C13H23BO5Si/c1-38-32-25(11-10-14-30(32)41-23-40-18-20-43(5,6)7)24-15-16-29-26(21-24)31(33-34-27-12-8-9-13-28(27)35-33)36-37(29)22-39-17-19-42(2,3)4;1-33-26-19(8-7-11-24(26)32)18-12-13-23-20(16-18)25(27-28-21-9-5-6-10-22(21)29-27)30-31(23)17-34-14-15-35(2,3)4;1-27(2,3)11-10-26-13-25-18-9-8-14(21)12-15(18)19(24-25)20-22-16-6-4-5-7-17(16)23-20;1-17-13-11(14(15)16)6-5-7-12(13)19-10-18-8-9-20(2,3)4/h8-16,21H,17-20,22-23H2,1-7H3,(H,34,35);5-13,16,32H,14-15,17H2,1-4H3,(H,28,29);4-9,12H,10-11,13H2,1-3H3,(H,22,23);5-7,15-16H,8-10H2,1-4H3
InChIKeyGJMOEOPRDKXRLL-UHFFFAOYSA-N
XLogP21.09
TPSA292.49 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.20
LogP ≤ 521.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid with MolForge

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Related Compounds

2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135718578
3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol
CID 136072471
2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-[3-(2-trimethylsilylethoxy)propoxy]phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 136414332
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-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
2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;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;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158428650
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxy-5-methylphenol;fluoro-methyl-tritioborane;2-[[6-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 158808298
3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid
CID 159109292
2-[[6-Iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid;2-[[6-[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 159536647
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

Frequently Asked Questions

What is the IUPAC name of 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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid?
The IUPAC name of 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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid (CID 158274986) is 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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid.
What is the SMILES notation for 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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid?
The canonical SMILES for 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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid is COc1c(O)cccc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.COc1c(OCOCC[Si](C)(C)C)cccc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.COc1c(OCOCC[Si](C)(C)C)cccc1B(O)O.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21.
What is the InChIKey of 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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid?
The InChIKey is GJMOEOPRDKXRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O4Si2.C27H30N4O3Si.C20H23IN4OSi.C13H23BO5Si/c1-38-32-25(11-10-14-30(32)41-23-40-18-20-43(5,6)7)24-15-16-29-26(21-24)31(33-34-27-12-8-9-13-28(27)35-33)36-37(29)22-39-17-19-42(2,3)4;1-33-26-19(8-7-11-24(26)32)18-12-13-23-20(16-18)25(27-28-21-9-5-6-10-22(21)29-27)30-31(23)17-34-14-15-35(2,3)4;1-27(2,3)11-10-26-13-25-18-9-8-14(21)12-15(18)19(24-25)20-22-16-6-4-5-7-17(16)23-20;1-17-13-11(14(15)16)6-5-7-12(13)19-10-18-8-9-20(2,3)4/h8-16,21H,17-20,22-23H2,1-7H3,(H,34,35);5-13,16,32H,14-15,17H2,1-4H3,(H,28,29);4-9,12H,10-11,13H2,1-3H3,(H,22,23);5-7,15-16H,8-10H2,1-4H3.
What are the key properties of 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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid?
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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid has a molecular weight of 1892.20 g/mol, XLogP of 21.09, 36 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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;3-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-methoxyphenol;[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]boronic acid is sourced from PubChem (CID 158274986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).