2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C15H18BrClF3N3OSi — CID 67973604

IUPAC2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ncc(Br)cc1Cl
InChIInChI=1S/C15H18BrClF3N3OSi/c1-25(2,3)5-4-24-9-23-8-12(15(18,19)20)22-14(23)13-11(17)6-10(16)7-21-13/h6-8H,4-5,9H2,1-3H3
InChIKeyACYBAMPVQRHEPZ-UHFFFAOYSA-N
MW456.77 g/mol
LogP5.69
Rot. Bonds6

About 2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67973604) has the molecular formula C15H18BrClF3N3OSi and a molecular weight of 456.77 g/mol. Its IUPAC name is 2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID67973604
Molecular FormulaC15H18BrClF3N3OSi
Molecular Weight456.77 g/mol
Exact Mass455.00
IUPAC Name2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ncc(Br)cc1Cl
InChIInChI=1S/C15H18BrClF3N3OSi/c1-25(2,3)5-4-24-9-23-8-12(15(18,19)20)22-14(23)13-11(17)6-10(16)7-21-13/h6-8H,4-5,9H2,1-3H3
InChIKeyACYBAMPVQRHEPZ-UHFFFAOYSA-N
XLogP5.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.77
LogP ≤ 55.69
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 67973604) is 2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ncc(Br)cc1Cl.
What is the InChIKey of 2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ACYBAMPVQRHEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClF3N3OSi/c1-25(2,3)5-4-24-9-23-8-12(15(18,19)20)22-14(23)13-11(17)6-10(16)7-21-13/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 456.77 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-3-chloro-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67973604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).