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

C98H129B3I2N10O15Si2 — CID 161259074

IUPAC2-[[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
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)c1C.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/C28H32N4O2Si.C20H23IN4OSi.C14H21BO3.C12H24B2O4.C8H9IO.C8H9NO3.C8H11NO/c1-19-21(9-8-12-26(19)33-2)20-13-14-25-22(17-20)27(28-29-23-10-6-7-11-24(23)30-28)31-32(25)18-34-15-16-35(3,4)5;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;1-10-11(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/h6-14,17H,15-16,18H2,1-5H3,(H,29,30);4-9,12H,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
InChIKeyVCHVBFXLYKHVNT-UHFFFAOYSA-N
MW2029.58 g/mol
LogP23.03
Rot. Bonds21

About 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

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 (PubChem CID 161259074) has the molecular formula C98H129B3I2N10O15Si2 and a molecular weight of 2029.58 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-(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.

Molecular Properties

Compound Name2-[[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
PubChem CID161259074
Molecular FormulaC98H129B3I2N10O15Si2
Molecular Weight2029.58 g/mol
Exact Mass2028.75
IUPAC Name2-[[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
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)c1C.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/C28H32N4O2Si.C20H23IN4OSi.C14H21BO3.C12H24B2O4.C8H9IO.C8H9NO3.C8H11NO/c1-19-21(9-8-12-26(19)33-2)20-13-14-25-22(17-20)27(28-29-23-10-6-7-11-24(23)30-28)31-32(25)18-34-15-16-35(3,4)5;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;1-10-11(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/h6-14,17H,15-16,18H2,1-5H3,(H,29,30);4-9,12H,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
InChIKeyVCHVBFXLYKHVNT-UHFFFAOYSA-N
XLogP23.03
TPSA282.15 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002029.58
LogP ≤ 523.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

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;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 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
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
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;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
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
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
CID 161968401

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-(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?
The IUPAC name of 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) is 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.
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-(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?
The canonical SMILES for 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 is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)c1C.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;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?
The InChIKey is VCHVBFXLYKHVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2Si.C20H23IN4OSi.C14H21BO3.C12H24B2O4.C8H9IO.C8H9NO3.C8H11NO/c1-19-21(9-8-12-26(19)33-2)20-13-14-25-22(17-20)27(28-29-23-10-6-7-11-24(23)30-28)31-32(25)18-34-15-16-35(3,4)5;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;1-10-11(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/h6-14,17H,15-16,18H2,1-5H3,(H,29,30);4-9,12H,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;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?
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 has a molecular weight of 2029.58 g/mol, XLogP of 23.03, 21 rotatable bonds, 3 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-(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 is sourced from PubChem (CID 161259074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).