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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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).