2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C15H19BrF3N3OSi — CID 86698175

IUPAC2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)nc1
InChIInChI=1S/C15H19BrF3N3OSi/c1-24(2,3)7-6-23-10-22-9-12(15(17,18)19)21-14(22)11-4-5-13(16)20-8-11/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyQSACTKSTUBETNS-UHFFFAOYSA-N
MW422.32 g/mol
LogP5.04
Rot. Bonds6

About 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 86698175) has the molecular formula C15H19BrF3N3OSi and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID86698175
Molecular FormulaC15H19BrF3N3OSi
Molecular Weight422.32 g/mol
Exact Mass421.04
IUPAC Name2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)nc1
InChIInChI=1S/C15H19BrF3N3OSi/c1-24(2,3)7-6-23-10-22-9-12(15(17,18)19)21-14(22)11-4-5-13(16)20-8-11/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyQSACTKSTUBETNS-UHFFFAOYSA-N
XLogP5.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 55.04
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 86698175) is 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)nc1.
What is the InChIKey of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is QSACTKSTUBETNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N3OSi/c1-24(2,3)7-6-23-10-22-9-12(15(17,18)19)21-14(22)11-4-5-13(16)20-8-11/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 422.32 g/mol, XLogP of 5.04, 6 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)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 86698175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).