2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C16H19BrF5N3OSi — CID 125498321

IUPAC2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(C(F)(F)C(F)(F)F)cnc1-c1ccc(Br)nc1
InChIInChI=1S/C16H19BrF5N3OSi/c1-27(2,3)7-6-26-10-25-12(15(18,19)16(20,21)22)9-24-14(25)11-4-5-13(17)23-8-11/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyYNBVPXSJASFVIE-UHFFFAOYSA-N
MW472.33 g/mol
LogP5.67
Rot. Bonds7

About 2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 125498321) has the molecular formula C16H19BrF5N3OSi and a molecular weight of 472.33 g/mol. Its IUPAC name is 2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID125498321
Molecular FormulaC16H19BrF5N3OSi
Molecular Weight472.33 g/mol
Exact Mass471.04
IUPAC Name2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(C(F)(F)C(F)(F)F)cnc1-c1ccc(Br)nc1
InChIInChI=1S/C16H19BrF5N3OSi/c1-27(2,3)7-6-26-10-25-12(15(18,19)16(20,21)22)9-24-14(25)11-4-5-13(17)23-8-11/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyYNBVPXSJASFVIE-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 ≤ 500472.33
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
CID 137154484
4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile
CID 46895438
2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164594746
2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
CID 153333736
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 174068018
2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 170762564

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 125498321) is 2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(C(F)(F)C(F)(F)F)cnc1-c1ccc(Br)nc1.
What is the InChIKey of 2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YNBVPXSJASFVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrF5N3OSi/c1-27(2,3)7-6-26-10-25-12(15(18,19)16(20,21)22)9-24-14(25)11-4-5-13(17)23-8-11/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 472.33 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-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 125498321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).