2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole

C23H14ClFN2 — CID 50908895

IUPAC2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(C#Cc3ccccc3)cc2)[nH]1
InChIInChI=1S/C23H14ClFN2/c24-19-7-4-8-20(25)22(19)23-26-15-21(27-23)18-13-11-17(12-14-18)10-9-16-5-2-1-3-6-16/h1-8,11-15H,(H,26,27)
InChIKeyFBPSDJOFCNSDQF-UHFFFAOYSA-N
MW372.83 g/mol
LogP5.94
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole

2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole (PubChem CID 50908895) has the molecular formula C23H14ClFN2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole
PubChem CID50908895
Molecular FormulaC23H14ClFN2
Molecular Weight372.83 g/mol
Exact Mass372.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(C#Cc3ccccc3)cc2)[nH]1
InChIInChI=1S/C23H14ClFN2/c24-19-7-4-8-20(25)22(19)23-26-15-21(27-23)18-13-11-17(12-14-18)10-9-16-5-2-1-3-6-16/h1-8,11-15H,(H,26,27)
InChIKeyFBPSDJOFCNSDQF-UHFFFAOYSA-N
XLogP5.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.83
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole (CID 50908895) is 2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole is Fc1cccc(Cl)c1-c1ncc(-c2ccc(C#Cc3ccccc3)cc2)[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole?
The InChIKey is FBPSDJOFCNSDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN2/c24-19-7-4-8-20(25)22(19)23-26-15-21(27-23)18-13-11-17(12-14-18)10-9-16-5-2-1-3-6-16/h1-8,11-15H,(H,26,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole?
2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole has a molecular weight of 372.83 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole is sourced from PubChem (CID 50908895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).