bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane

C18H18F2N2Si — CID 54517481

IUPACbis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane
SMILESCC(n1ccnc1)[Si](C)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H18F2N2Si/c1-14(22-12-11-21-13-22)23(2,17-7-3-15(19)4-8-17)18-9-5-16(20)6-10-18/h3-14H,1-2H3
InChIKeyYNKCFQDTNBZUPE-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.15
Rot. Bonds4

About bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane

bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane (PubChem CID 54517481) has the molecular formula C18H18F2N2Si and a molecular weight of 328.44 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane
PubChem CID54517481
Molecular FormulaC18H18F2N2Si
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Namebis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane
SMILESCC(n1ccnc1)[Si](C)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H18F2N2Si/c1-14(22-12-11-21-13-22)23(2,17-7-3-15(19)4-8-17)18-9-5-16(20)6-10-18/h3-14H,1-2H3
InChIKeyYNKCFQDTNBZUPE-UHFFFAOYSA-N
XLogP3.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane?
The IUPAC name of bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane (CID 54517481) is bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane.
What is the SMILES notation for bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane?
The canonical SMILES for bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane is CC(n1ccnc1)[Si](C)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane?
The InChIKey is YNKCFQDTNBZUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2Si/c1-14(22-12-11-21-13-22)23(2,17-7-3-15(19)4-8-17)18-9-5-16(20)6-10-18/h3-14H,1-2H3.
What are the key properties of bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane?
bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane has a molecular weight of 328.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane is sourced from PubChem (CID 54517481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).