1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone

C15H21FN2O2Si — CID 22477945

IUPAC1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2cc(F)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C15H21FN2O2Si/c1-11(19)15-17-13-9-12(16)5-6-14(13)18(15)10-20-7-8-21(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyWLIZNHIWSIOCHH-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.69
Rot. Bonds6

About 1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone

1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone (PubChem CID 22477945) has the molecular formula C15H21FN2O2Si and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone
PubChem CID22477945
Molecular FormulaC15H21FN2O2Si
Molecular Weight308.43 g/mol
Exact Mass308.14
IUPAC Name1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2cc(F)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C15H21FN2O2Si/c1-11(19)15-17-13-9-12(16)5-6-14(13)18(15)10-20-7-8-21(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyWLIZNHIWSIOCHH-UHFFFAOYSA-N
XLogP3.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.69
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

1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone
CID 83428808
1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one
CID 22477777
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
ethyl 5-fluoro-1-propylbenzimidazole-2-carboxylate
CID 55189985
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
CID 21025939
4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol
CID 86705759
trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
CID 59539148
ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63358168
hydroxy-dimethyl-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]silane
CID 24807131
2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide
CID 106240033
2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid
CID 67338630
N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide
CID 75520441

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone?
The IUPAC name of 1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone (CID 22477945) is 1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone?
The canonical SMILES for 1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone is CC(=O)c1nc2cc(F)ccc2n1COCC[Si](C)(C)C.
What is the InChIKey of 1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone?
The InChIKey is WLIZNHIWSIOCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2Si/c1-11(19)15-17-13-9-12(16)5-6-14(13)18(15)10-20-7-8-21(2,3)4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone?
1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone has a molecular weight of 308.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone is sourced from PubChem (CID 22477945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).