2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane

C21H23BrCl2FNO2Si — CID 67280301

IUPAC2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(Cl)c(F)cc1-c1cn(COCC[Si](C)(C)C)c2ccc(Br)c(Cl)c12
InChIInChI=1S/C21H23BrCl2FNO2Si/c1-27-19-10-16(23)17(25)9-13(19)14-11-26(12-28-7-8-29(2,3)4)18-6-5-15(22)21(24)20(14)18/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyAUBDLRVDUVWNDR-UHFFFAOYSA-N
MW519.31 g/mol
LogP7.84
Rot. Bonds7

About 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67280301) has the molecular formula C21H23BrCl2FNO2Si and a molecular weight of 519.31 g/mol. Its IUPAC name is 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID67280301
Molecular FormulaC21H23BrCl2FNO2Si
Molecular Weight519.31 g/mol
Exact Mass517.00
IUPAC Name2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(Cl)c(F)cc1-c1cn(COCC[Si](C)(C)C)c2ccc(Br)c(Cl)c12
InChIInChI=1S/C21H23BrCl2FNO2Si/c1-27-19-10-16(23)17(25)9-13(19)14-11-26(12-28-7-8-29(2,3)4)18-6-5-15(22)21(24)20(14)18/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyAUBDLRVDUVWNDR-UHFFFAOYSA-N
XLogP7.84
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.31
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172631194
2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164594211
2-amino-5-[4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-chloro-2-fluoro-4-iodo-5-methoxybenzene;2-chloro-1-fluoro-4-methoxybenzene
CID 158523690
4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluoroaniline
CID 142494847
2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 169030760
2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 86688618
2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane
CID 167375991
2-[(4-bromo-6-chloroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 140807311
2-[[3-bromo-4-(3-fluoro-4-methylphenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 174084948
2-[[5-(3-bromoquinolin-6-yl)-4-(5-chloro-2,4-difluorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150732144
2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane
CID 156738835
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane (CID 67280301) is 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane is COc1cc(Cl)c(F)cc1-c1cn(COCC[Si](C)(C)C)c2ccc(Br)c(Cl)c12.
What is the InChIKey of 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is AUBDLRVDUVWNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrCl2FNO2Si/c1-27-19-10-16(23)17(25)9-13(19)14-11-26(12-28-7-8-29(2,3)4)18-6-5-15(22)21(24)20(14)18/h5-6,9-11H,7-8,12H2,1-4H3.
What are the key properties of 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 519.31 g/mol, XLogP of 7.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67280301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).