2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane

C19H22BrClN4OSi — CID 59137278

IUPAC2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccccc2)nc(Br)c1-c1ccnc(Cl)n1
InChIInChI=1S/C19H22BrClN4OSi/c1-27(2,3)12-11-26-13-25-16(15-9-10-22-19(21)23-15)17(20)24-18(25)14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3
InChIKeyCFURVZLPHWWYSO-UHFFFAOYSA-N
MW465.86 g/mol
LogP5.74
Rot. Bonds7

About 2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 59137278) has the molecular formula C19H22BrClN4OSi and a molecular weight of 465.86 g/mol. Its IUPAC name is 2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID59137278
Molecular FormulaC19H22BrClN4OSi
Molecular Weight465.86 g/mol
Exact Mass464.04
IUPAC Name2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccccc2)nc(Br)c1-c1ccnc(Cl)n1
InChIInChI=1S/C19H22BrClN4OSi/c1-27(2,3)12-11-26-13-25-16(15-9-10-22-19(21)23-15)17(20)24-18(25)14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3
InChIKeyCFURVZLPHWWYSO-UHFFFAOYSA-N
XLogP5.74
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.86
LogP ≤ 55.74
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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 59137278) is 2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccccc2)nc(Br)c1-c1ccnc(Cl)n1.
What is the InChIKey of 2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CFURVZLPHWWYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrClN4OSi/c1-27(2,3)12-11-26-13-25-16(15-9-10-22-19(21)23-15)17(20)24-18(25)14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3.
What are the key properties of 2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 465.86 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 59137278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).