2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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

C70H97B3I2N6O13Si — CID 161471333

IUPAC2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C.COc1cccc(I)c1C.COc1cccc(N)c1C.COc1cccc([N+](=O)[O-])c1C.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21
InChIInChI=1S/C20H23IN4OSi.C14H21BO3.C12H24B2O4.C8H9IO.C8H9NO3.C8H11NO/c1-27(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;1-10-11(8-7-9-12(10)16-6)15-17-13(2,3)14(4,5)18-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-7(9)4-3-5-8(6)10-2;1-6-7(9(10)11)4-3-5-8(6)12-2;1-6-7(9)4-3-5-8(6)10-2/h4-9,12H,10-11,13H2,1-3H3,(H,22,23);7-9H,1-6H3;1-8H3;3-5H,1-2H3;3-5H,1-2H3;3-5H,9H2,1-2H3
InChIKeyWDCWGGABVLWGLK-UHFFFAOYSA-N
MW1544.90 g/mol
LogP16.15
Rot. Bonds13

About 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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

2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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 (PubChem CID 161471333) has the molecular formula C70H97B3I2N6O13Si and a molecular weight of 1544.90 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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
PubChem CID161471333
Molecular FormulaC70H97B3I2N6O13Si
Molecular Weight1544.90 g/mol
Exact Mass1544.53
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C.COc1cccc(I)c1C.COc1cccc(N)c1C.COc1cccc([N+](=O)[O-])c1C.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21
InChIInChI=1S/C20H23IN4OSi.C14H21BO3.C12H24B2O4.C8H9IO.C8H9NO3.C8H11NO/c1-27(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;1-10-11(8-7-9-12(10)16-6)15-17-13(2,3)14(4,5)18-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-7(9)4-3-5-8(6)10-2;1-6-7(9(10)11)4-3-5-8(6)12-2;1-6-7(9)4-3-5-8(6)10-2/h4-9,12H,10-11,13H2,1-3H3,(H,22,23);7-9H,1-6H3;1-8H3;3-5H,1-2H3;3-5H,1-2H3;3-5H,9H2,1-2H3
InChIKeyWDCWGGABVLWGLK-UHFFFAOYSA-N
XLogP16.15
TPSA217.19 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001544.90
LogP ≤ 516.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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 with MolForge

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Related Compounds

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
3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;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 159198909
2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;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 161259074

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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 161471333) is 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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 is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C.COc1cccc(I)c1C.COc1cccc(N)c1C.COc1cccc([N+](=O)[O-])c1C.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;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?
The InChIKey is WDCWGGABVLWGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN4OSi.C14H21BO3.C12H24B2O4.C8H9IO.C8H9NO3.C8H11NO/c1-27(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;1-10-11(8-7-9-12(10)16-6)15-17-13(2,3)14(4,5)18-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-7(9)4-3-5-8(6)10-2;1-6-7(9(10)11)4-3-5-8(6)12-2;1-6-7(9)4-3-5-8(6)10-2/h4-9,12H,10-11,13H2,1-3H3,(H,22,23);7-9H,1-6H3;1-8H3;3-5H,1-2H3;3-5H,1-2H3;3-5H,9H2,1-2H3.
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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?
2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-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 has a molecular weight of 1544.90 g/mol, XLogP of 16.15, 13 rotatable bonds, 2 hydrogen bond donors, and 17 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;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 is sourced from PubChem (CID 161471333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).