(4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane

C17H17FN2Si — CID 13392452

IUPAC(4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane
SMILESC[Si](Cn1ccnc1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2Si/c1-21(14-20-12-11-19-13-20,16-5-3-2-4-6-16)17-9-7-15(18)8-10-17/h2-13H,14H2,1H3
InChIKeyIRXCADLSSLAOHC-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.45
Rot. Bonds4

About (4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane

(4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane (PubChem CID 13392452) has the molecular formula C17H17FN2Si and a molecular weight of 296.42 g/mol. Its IUPAC name is (4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane.

Molecular Properties

Compound Name(4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane
PubChem CID13392452
Molecular FormulaC17H17FN2Si
Molecular Weight296.42 g/mol
Exact Mass296.11
IUPAC Name(4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane
SMILESC[Si](Cn1ccnc1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2Si/c1-21(14-20-12-11-19-13-20,16-5-3-2-4-6-16)17-9-7-15(18)8-10-17/h2-13H,14H2,1H3
InChIKeyIRXCADLSSLAOHC-UHFFFAOYSA-N
XLogP2.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.45
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 (4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane?
The IUPAC name of (4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane (CID 13392452) is (4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane.
What is the SMILES notation for (4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane?
The canonical SMILES for (4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane is C[Si](Cn1ccnc1)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane?
The InChIKey is IRXCADLSSLAOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2Si/c1-21(14-20-12-11-19-13-20,16-5-3-2-4-6-16)17-9-7-15(18)8-10-17/h2-13H,14H2,1H3.
What are the key properties of (4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane?
(4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane has a molecular weight of 296.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane is sourced from PubChem (CID 13392452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).