4-ethenyl-2-fluoro-5-trityl-1H-imidazole

C24H19FN2 — CID 70553582

IUPAC4-ethenyl-2-fluoro-5-trityl-1H-imidazole
SMILESC=Cc1nc(F)[nH]c1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19FN2/c1-2-21-22(27-23(25)26-21)24(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2,(H,26,27)
InChIKeyZBKJXNOQCCHAJJ-UHFFFAOYSA-N
MW354.43 g/mol
LogP5.57
Rot. Bonds5

About 4-ethenyl-2-fluoro-5-trityl-1H-imidazole

4-ethenyl-2-fluoro-5-trityl-1H-imidazole (PubChem CID 70553582) has the molecular formula C24H19FN2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-ethenyl-2-fluoro-5-trityl-1H-imidazole.

Molecular Properties

Compound Name4-ethenyl-2-fluoro-5-trityl-1H-imidazole
PubChem CID70553582
Molecular FormulaC24H19FN2
Molecular Weight354.43 g/mol
Exact Mass354.15
IUPAC Name4-ethenyl-2-fluoro-5-trityl-1H-imidazole
SMILESC=Cc1nc(F)[nH]c1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19FN2/c1-2-21-22(27-23(25)26-21)24(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2,(H,26,27)
InChIKeyZBKJXNOQCCHAJJ-UHFFFAOYSA-N
XLogP5.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-fluoro-5-trityl-1H-imidazole?
The IUPAC name of 4-ethenyl-2-fluoro-5-trityl-1H-imidazole (CID 70553582) is 4-ethenyl-2-fluoro-5-trityl-1H-imidazole.
What is the SMILES notation for 4-ethenyl-2-fluoro-5-trityl-1H-imidazole?
The canonical SMILES for 4-ethenyl-2-fluoro-5-trityl-1H-imidazole is C=Cc1nc(F)[nH]c1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-ethenyl-2-fluoro-5-trityl-1H-imidazole?
The InChIKey is ZBKJXNOQCCHAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2/c1-2-21-22(27-23(25)26-21)24(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2,(H,26,27).
What are the key properties of 4-ethenyl-2-fluoro-5-trityl-1H-imidazole?
4-ethenyl-2-fluoro-5-trityl-1H-imidazole has a molecular weight of 354.43 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-fluoro-5-trityl-1H-imidazole is sourced from PubChem (CID 70553582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).