2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole

C21H14ClFN2 — CID 52941219

IUPAC2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C21H14ClFN2/c22-17-7-4-8-18(23)20(17)21-24-13-19(25-21)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H,24,25)
InChIKeyXHVGGQYGPOAQTI-UHFFFAOYSA-N
MW348.81 g/mol
LogP6.20
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole

2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole (PubChem CID 52941219) has the molecular formula C21H14ClFN2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole
PubChem CID52941219
Molecular FormulaC21H14ClFN2
Molecular Weight348.81 g/mol
Exact Mass348.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C21H14ClFN2/c22-17-7-4-8-18(23)20(17)21-24-13-19(25-21)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H,24,25)
InChIKeyXHVGGQYGPOAQTI-UHFFFAOYSA-N
XLogP6.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.81
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole (CID 52941219) is 2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole is Fc1cccc(Cl)c1-c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole?
The InChIKey is XHVGGQYGPOAQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2/c22-17-7-4-8-18(23)20(17)21-24-13-19(25-21)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H,24,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole?
2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole has a molecular weight of 348.81 g/mol, XLogP of 6.20, 3 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-phenylphenyl)-1H-imidazole is sourced from PubChem (CID 52941219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).