2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane

C20H23FIN3OSi — CID 12044779

IUPAC2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(I)nc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H23FIN3OSi/c1-27(2,3)13-12-26-14-25-19(16-4-6-17(21)7-5-16)18(24-20(25)22)15-8-10-23-11-9-15/h4-11H,12-14H2,1-3H3
InChIKeyOYNJBZNERNQLCF-UHFFFAOYSA-N
MW495.41 g/mol
LogP5.67
Rot. Bonds7

About 2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 12044779) has the molecular formula C20H23FIN3OSi and a molecular weight of 495.41 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID12044779
Molecular FormulaC20H23FIN3OSi
Molecular Weight495.41 g/mol
Exact Mass495.06
IUPAC Name2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(I)nc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H23FIN3OSi/c1-27(2,3)13-12-26-14-25-19(16-4-6-17(21)7-5-16)18(24-20(25)22)15-8-10-23-11-9-15/h4-11H,12-14H2,1-3H3
InChIKeyOYNJBZNERNQLCF-UHFFFAOYSA-N
XLogP5.67
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.41
LogP ≤ 55.67
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
CID 3008319
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
SB-242235
CID 9863367
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
SB-216995
CID 5171
4-(4-(4-Fluorophenyl)-1-(3-morpholinopropyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 9800117
SB-210313
CID 9885504
5-[3-(1H-imidazol-1-yl)propyl]-7,8-dihydroquinoline
CID 10586086
5-[(Imidazol-1-yl)methyl]-7,8-dihydroquinoline
CID 10774864
4-(4-(4-Fluorophenyl)-1-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 22464113
1-(4-Fluorobenzyl)-5-phenyl-1H-imidazole
CID 45103808
2-(4-Fluorophenyl)-8-methylimidazo[1,2-a]pyridine
CID 805501

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 12044779) is 2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(I)nc(-c2ccncc2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is OYNJBZNERNQLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FIN3OSi/c1-27(2,3)13-12-26-14-25-19(16-4-6-17(21)7-5-16)18(24-20(25)22)15-8-10-23-11-9-15/h4-11H,12-14H2,1-3H3.
What are the key properties of 2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 495.41 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-2-iodo-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 12044779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).