2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C133H168B2Br2ClIN18O7Si7 — CID 158730445

IUPAC2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESBrc1cccc2[nH]ccc12.CC(C)(C)[Si](C)(C)n1ccc2c(-c3ccc4c(c3)c(-c3nc5ccccc5[nH]3)nn4COCC[Si](C)(C)C)cccc21.CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21.CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21.CC(C)(C)[Si](C)(C)n1ccc2c(Br)cccc21.CCl.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(I)ccc21.c1ccc2[nH]c(-c3n[nH]c4ccc(-c5cccc6[nH]ccc56)cc34)nc2c1
InChIInChI=1S/C34H43N5OSi2.C26H37IN4O2Si2.C22H15N5.2C14H22BNO2Si.C14H20BrNSi.C8H6BrN.CH3Cl/c1-34(2,3)42(7,8)39-19-18-26-25(12-11-15-31(26)39)24-16-17-30-27(22-24)32(33-35-28-13-9-10-14-29(28)36-33)37-38(30)23-40-20-21-41(4,5)6;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;1-2-6-20-19(5-1)24-22(25-20)21-16-12-13(8-9-18(16)26-27-21)14-4-3-7-17-15(14)10-11-23-17;2*1-14(2,3)19(4,5)16-10-9-11-12(15(17)18)7-6-8-13(11)16;1-14(2,3)17(4,5)16-10-9-11-12(15)7-6-8-13(11)16;9-7-2-1-3-8-6(7)4-5-10-8;1-2/h9-19,22H,20-21,23H2,1-8H3,(H,35,36);7-12,17H,13-16,18-19H2,1-6H3;1-12,23H,(H,24,25)(H,26,27);2*6-10,17-18H,1-5H3;6-10H,1-5H3;1-5,10H;1H3
InChIKeyILAMEHPVNCQTGI-UHFFFAOYSA-N
MW2671.32 g/mol
LogP35.29
Rot. Bonds26

About 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 158730445) has the molecular formula C133H168B2Br2ClIN18O7Si7 and a molecular weight of 2671.32 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID158730445
Molecular FormulaC133H168B2Br2ClIN18O7Si7
Molecular Weight2671.32 g/mol
Exact Mass2666.90
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESBrc1cccc2[nH]ccc12.CC(C)(C)[Si](C)(C)n1ccc2c(-c3ccc4c(c3)c(-c3nc5ccccc5[nH]3)nn4COCC[Si](C)(C)C)cccc21.CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21.CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21.CC(C)(C)[Si](C)(C)n1ccc2c(Br)cccc21.CCl.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(I)ccc21.c1ccc2[nH]c(-c3n[nH]c4ccc(-c5cccc6[nH]ccc56)cc34)nc2c1
InChIInChI=1S/C34H43N5OSi2.C26H37IN4O2Si2.C22H15N5.2C14H22BNO2Si.C14H20BrNSi.C8H6BrN.CH3Cl/c1-34(2,3)42(7,8)39-19-18-26-25(12-11-15-31(26)39)24-16-17-30-27(22-24)32(33-35-28-13-9-10-14-29(28)36-33)37-38(30)23-40-20-21-41(4,5)6;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;1-2-6-20-19(5-1)24-22(25-20)21-16-12-13(8-9-18(16)26-27-21)14-4-3-7-17-15(14)10-11-23-17;2*1-14(2,3)19(4,5)16-10-9-11-12(15(17)18)7-6-8-13(11)16;1-14(2,3)17(4,5)16-10-9-11-12(15)7-6-8-13(11)16;9-7-2-1-3-8-6(7)4-5-10-8;1-2/h9-19,22H,20-21,23H2,1-8H3,(H,35,36);7-12,17H,13-16,18-19H2,1-6H3;1-12,23H,(H,24,25)(H,26,27);2*6-10,17-18H,1-5H3;6-10H,1-5H3;1-5,10H;1H3
InChIKeyILAMEHPVNCQTGI-UHFFFAOYSA-N
XLogP35.29
TPSA299.41 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002671.32
LogP ≤ 535.29
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 158730445) is 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is Brc1cccc2[nH]ccc12.CC(C)(C)[Si](C)(C)n1ccc2c(-c3ccc4c(c3)c(-c3nc5ccccc5[nH]3)nn4COCC[Si](C)(C)C)cccc21.CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21.CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21.CC(C)(C)[Si](C)(C)n1ccc2c(Br)cccc21.CCl.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(I)ccc21.c1ccc2[nH]c(-c3n[nH]c4ccc(-c5cccc6[nH]ccc56)cc34)nc2c1.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ILAMEHPVNCQTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5OSi2.C26H37IN4O2Si2.C22H15N5.2C14H22BNO2Si.C14H20BrNSi.C8H6BrN.CH3Cl/c1-34(2,3)42(7,8)39-19-18-26-25(12-11-15-31(26)39)24-16-17-30-27(22-24)32(33-35-28-13-9-10-14-29(28)36-33)37-38(30)23-40-20-21-41(4,5)6;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;1-2-6-20-19(5-1)24-22(25-20)21-16-12-13(8-9-18(16)26-27-21)14-4-3-7-17-15(14)10-11-23-17;2*1-14(2,3)19(4,5)16-10-9-11-12(15(17)18)7-6-8-13(11)16;1-14(2,3)17(4,5)16-10-9-11-12(15)7-6-8-13(11)16;9-7-2-1-3-8-6(7)4-5-10-8;1-2/h9-19,22H,20-21,23H2,1-8H3,(H,35,36);7-12,17H,13-16,18-19H2,1-6H3;1-12,23H,(H,24,25)(H,26,27);2*6-10,17-18H,1-5H3;6-10H,1-5H3;1-5,10H;1H3.
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 2671.32 g/mol, XLogP of 35.29, 26 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-4-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;4-bromo-1H-indole;(4-bromoindol-1-yl)-tert-butyl-dimethylsilane;bis([1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid);chloromethane;2-[[5-iodo-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158730445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).