2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C37H54Br2N4OSi3 — CID 10700609

IUPAC2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)n1cc(-c2cnc(-c3cn([Si](C)(C)C(C)(C)C)c4cc(Br)ccc34)n2COCC[Si](C)(C)C)c2ccc(Br)cc21
InChIInChI=1S/C37H54Br2N4OSi3/c1-36(2,3)46(10,11)42-23-30(28-16-14-26(38)20-32(28)42)34-22-40-35(41(34)25-44-18-19-45(7,8)9)31-24-43(47(12,13)37(4,5)6)33-21-27(39)15-17-29(31)33/h14-17,20-24H,18-19,25H2,1-13H3
InChIKeyVPWAZFYGDNKTAD-UHFFFAOYSA-N
MW814.93 g/mol
LogP12.67
Rot. Bonds9

About 2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 10700609) has the molecular formula C37H54Br2N4OSi3 and a molecular weight of 814.93 g/mol. Its IUPAC name is 2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID10700609
Molecular FormulaC37H54Br2N4OSi3
Molecular Weight814.93 g/mol
Exact Mass812.20
IUPAC Name2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)n1cc(-c2cnc(-c3cn([Si](C)(C)C(C)(C)C)c4cc(Br)ccc34)n2COCC[Si](C)(C)C)c2ccc(Br)cc21
InChIInChI=1S/C37H54Br2N4OSi3/c1-36(2,3)46(10,11)42-23-30(28-16-14-26(38)20-32(28)42)34-22-40-35(41(34)25-44-18-19-45(7,8)9)31-24-43(47(12,13)37(4,5)6)33-21-27(39)15-17-29(31)33/h14-17,20-24H,18-19,25H2,1-13H3
InChIKeyVPWAZFYGDNKTAD-UHFFFAOYSA-N
XLogP12.67
TPSA36.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.93
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 11802011
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164594746
2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437
2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 168727886
2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140874605
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
CID 145066841
2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane
CID 101222703
4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile
CID 46895438
4,6-dibromo-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 140829624
tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane
CID 140883406

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 10700609) is 2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is CC(C)(C)[Si](C)(C)n1cc(-c2cnc(-c3cn([Si](C)(C)C(C)(C)C)c4cc(Br)ccc34)n2COCC[Si](C)(C)C)c2ccc(Br)cc21.
What is the InChIKey of 2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VPWAZFYGDNKTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H54Br2N4OSi3/c1-36(2,3)46(10,11)42-23-30(28-16-14-26(38)20-32(28)42)34-22-40-35(41(34)25-44-18-19-45(7,8)9)31-24-43(47(12,13)37(4,5)6)33-21-27(39)15-17-29(31)33/h14-17,20-24H,18-19,25H2,1-13H3.
What are the key properties of 2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 814.93 g/mol, XLogP of 12.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 10700609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).