2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole

C21H15FN2 — CID 23504292

IUPAC2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole
SMILESFc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C21H15FN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)
InChIKeyUIHRWPYOTGCOJP-UHFFFAOYSA-N
MW314.36 g/mol
LogP5.55
Rot. Bonds3

About 2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole

2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole (PubChem CID 23504292) has the molecular formula C21H15FN2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole
PubChem CID23504292
Molecular FormulaC21H15FN2
Molecular Weight314.36 g/mol
Exact Mass314.12
IUPAC Name2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole
SMILESFc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C21H15FN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)
InChIKeyUIHRWPYOTGCOJP-UHFFFAOYSA-N
XLogP5.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.36
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole (CID 23504292) is 2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole is Fc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole?
The InChIKey is UIHRWPYOTGCOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24).
What are the key properties of 2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole?
2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole has a molecular weight of 314.36 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 23504292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).