2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C23H29FN2O3Si — CID 90075794

IUPAC2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(COc2cc(F)cc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H29FN2O3Si/c1-30(2,3)10-9-27-18-26-14-21(25-17-26)16-29-23-12-20(24)11-22(13-23)28-15-19-7-5-4-6-8-19/h4-8,11-14,17H,9-10,15-16,18H2,1-3H3
InChIKeyIXCIDNDEMDCATK-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.49
Rot. Bonds11

About 2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90075794) has the molecular formula C23H29FN2O3Si and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90075794
Molecular FormulaC23H29FN2O3Si
Molecular Weight428.58 g/mol
Exact Mass428.19
IUPAC Name2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(COc2cc(F)cc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H29FN2O3Si/c1-30(2,3)10-9-27-18-26-14-21(25-17-26)16-29-23-12-20(24)11-22(13-23)28-15-19-7-5-4-6-8-19/h4-8,11-14,17H,9-10,15-16,18H2,1-3H3
InChIKeyIXCIDNDEMDCATK-UHFFFAOYSA-N
XLogP5.49
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.49
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-[(4-butylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71485604
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
1-fluoro-3-(methoxymethyl)-5-phenylmethoxybenzene
CID 118070659
1-(3-fluoro-5-phenylmethoxyphenyl)-1-pyrazol-1-ylpropan-1-ol
CID 67818568
[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine
CID 102939558
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane
CID 58285270
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one
CID 140735529
2-[[2-chloro-6-(6-phenylmethoxybenzimidazol-1-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
CID 86614102

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90075794) is 2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc(COc2cc(F)cc(OCc3ccccc3)c2)c1.
What is the InChIKey of 2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is IXCIDNDEMDCATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3Si/c1-30(2,3)10-9-27-18-26-14-21(25-17-26)16-29-23-12-20(24)11-22(13-23)28-15-19-7-5-4-6-8-19/h4-8,11-14,17H,9-10,15-16,18H2,1-3H3.
What are the key properties of 2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 428.58 g/mol, XLogP of 5.49, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90075794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).