2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C22H28F2N2O2Si — CID 157316827

IUPAC2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCc1nc2c(COc3ccc(F)cc3F)cccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C22H28F2N2O2Si/c1-5-21-25-22-16(14-28-20-10-9-17(23)13-18(20)24)7-6-8-19(22)26(21)15-27-11-12-29(2,3)4/h6-10,13H,5,11-12,14-15H2,1-4H3
InChIKeyAUIOJRYRLBIFHQ-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.77
Rot. Bonds9

About 2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 157316827) has the molecular formula C22H28F2N2O2Si and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID157316827
Molecular FormulaC22H28F2N2O2Si
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCc1nc2c(COc3ccc(F)cc3F)cccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C22H28F2N2O2Si/c1-5-21-25-22-16(14-28-20-10-9-17(23)13-18(20)24)7-6-8-19(22)26(21)15-27-11-12-29(2,3)4/h6-10,13H,5,11-12,14-15H2,1-4H3
InChIKeyAUIOJRYRLBIFHQ-UHFFFAOYSA-N
XLogP5.77
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 157467509
3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate
CID 157489809
1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole
CID 122190747
[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
CID 16791044
2-[(2,4-difluorophenoxy)methyl]benzaldehyde
CID 87366498
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one
CID 68503428
[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate
CID 153403198
6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one
CID 59812975
2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 170762564
3-amino-1-[[6-fluoro-4-(2,2,2-trifluoroethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 158449354
2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
CID 151839763

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 157316827) is 2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is CCc1nc2c(COc3ccc(F)cc3F)cccc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is AUIOJRYRLBIFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O2Si/c1-5-21-25-22-16(14-28-20-10-9-17(23)13-18(20)24)7-6-8-19(22)26(21)15-27-11-12-29(2,3)4/h6-10,13H,5,11-12,14-15H2,1-4H3.
What are the key properties of 2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 418.56 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157316827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).