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

C17H16F2N2Si — CID 13392458

IUPACbis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane
SMILESC[Si](Cn1ccnc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2N2Si/c1-22(13-21-11-10-20-12-21,16-6-2-14(18)3-7-16)17-8-4-15(19)5-9-17/h2-12H,13H2,1H3
InChIKeyZKJRGLZZZYNOCS-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.59
Rot. Bonds4

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

bis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane (PubChem CID 13392458) has the molecular formula C17H16F2N2Si and a molecular weight of 314.41 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane
PubChem CID13392458
Molecular FormulaC17H16F2N2Si
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Namebis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane
SMILESC[Si](Cn1ccnc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2N2Si/c1-22(13-21-11-10-20-12-21,16-6-2-14(18)3-7-16)17-8-4-15(19)5-9-17/h2-12H,13H2,1H3
InChIKeyZKJRGLZZZYNOCS-UHFFFAOYSA-N
XLogP2.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.59
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)-(imidazol-1-ylmethyl)-methylsilane?
The IUPAC name of bis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane (CID 13392458) is bis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane.
What is the SMILES notation for bis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane?
The canonical SMILES for bis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane is C[Si](Cn1ccnc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane?
The InChIKey is ZKJRGLZZZYNOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2Si/c1-22(13-21-11-10-20-12-21,16-6-2-14(18)3-7-16)17-8-4-15(19)5-9-17/h2-12H,13H2,1H3.
What are the key properties of bis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane?
bis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane has a molecular weight of 314.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane is sourced from PubChem (CID 13392458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).