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

C63H82BFN8O7Si3 — CID 158808298

IUPAC4-[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
SMILESCOc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c(C)cc1O.COc1cc(-c2ccc3c(-c4nc5ccccc5n4COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c3c2)c(C)cc1OCOCC[Si](C)(C)C.[3H]B(C)F
InChIInChI=1S/C40H60N4O5Si3.C22H18N4O2.CH4BF/c1-30-24-38(49-29-48-20-23-52(9,10)11)37(45-2)26-33(30)31-16-17-32-36(25-31)44(28-47-19-22-51(6,7)8)42-39(32)40-41-34-14-12-13-15-35(34)43(40)27-46-18-21-50(3,4)5;1-12-9-19(27)20(28-2)11-15(12)13-7-8-14-18(10-13)25-26-21(14)22-23-16-5-3-4-6-17(16)24-22;1-2-3/h12-17,24-26H,18-23,27-29H2,1-11H3;3-11,27H,1-2H3,(H,23,24)(H,25,26);2H,1H3/i;;2T
InChIKeyIUIZRSNDUSIHFM-IRKISQMASA-N
MW1179.47 g/mol
LogP15.50
Rot. Bonds22

About 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

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 (PubChem CID 158808298) has the molecular formula C63H82BFN8O7Si3 and a molecular weight of 1179.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158808298
Molecular FormulaC63H82BFN8O7Si3
Molecular Weight1179.47 g/mol
Exact Mass1178.58
IUPAC Name4-[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
SMILESCOc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c(C)cc1O.COc1cc(-c2ccc3c(-c4nc5ccccc5n4COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c3c2)c(C)cc1OCOCC[Si](C)(C)C.[3H]B(C)F
InChIInChI=1S/C40H60N4O5Si3.C22H18N4O2.CH4BF/c1-30-24-38(49-29-48-20-23-52(9,10)11)37(45-2)26-33(30)31-16-17-32-36(25-31)44(28-47-19-22-51(6,7)8)42-39(32)40-41-34-14-12-13-15-35(34)43(40)27-46-18-21-50(3,4)5;1-12-9-19(27)20(28-2)11-15(12)13-7-8-14-18(10-13)25-26-21(14)22-23-16-5-3-4-6-17(16)24-22;1-2-3/h12-17,24-26H,18-23,27-29H2,1-11H3;3-11,27H,1-2H3,(H,23,24)(H,25,26);2H,1H3/i;;2T
InChIKeyIUIZRSNDUSIHFM-IRKISQMASA-N
XLogP15.50
TPSA168.61 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001179.47
LogP ≤ 515.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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'}

Analyze 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 with MolForge

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Related Compounds

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxy-5-methylphenol
CID 136115608
6-[5-methoxy-2-methyl-4-(2-trimethylsilanyl-ethoxymethoxy)-phenyl]-(2-trimethylsilanyl-ethoxymethyl)-3-[1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazol-2-yl]-1H-indazole
CID 21877397
6-[5-methoxy-2-hydroxymethyl-4-(2-trimethylsilanyl-ethoxymethoxy)-phenyl]-1-(2-trimethylsilanyl-ethoxymethyl)-3-[1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazol-2-yl]-1H-indazole
CID 21877401
2-[[5-methoxy-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-[3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1H-indazol-6-yl]methoxy]ethyl-trimethylsilane
CID 69875019
[4-Methoxy-5-(2-trimethylsilylethoxymethoxy)-2-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-4-yl]phenyl]methanol
CID 140071778
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol
CID 142037533
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-(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;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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c(C)cc1O.COc1cc(-c2ccc3c(-c4nc5ccccc5n4COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c3c2)c(C)cc1OCOCC[Si](C)(C)C.[3H]B(C)F.
What is the InChIKey of 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?
The InChIKey is IUIZRSNDUSIHFM-IRKISQMASA-N. The full InChI is InChI=1S/C40H60N4O5Si3.C22H18N4O2.CH4BF/c1-30-24-38(49-29-48-20-23-52(9,10)11)37(45-2)26-33(30)31-16-17-32-36(25-31)44(28-47-19-22-51(6,7)8)42-39(32)40-41-34-14-12-13-15-35(34)43(40)27-46-18-21-50(3,4)5;1-12-9-19(27)20(28-2)11-15(12)13-7-8-14-18(10-13)25-26-21(14)22-23-16-5-3-4-6-17(16)24-22;1-2-3/h12-17,24-26H,18-23,27-29H2,1-11H3;3-11,27H,1-2H3,(H,23,24)(H,25,26);2H,1H3/i;;2T.
What are the key properties of 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?
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 has a molecular weight of 1179.47 g/mol, XLogP of 15.50, 22 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158808298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).