4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid

C22H14F2N2O2 — CID 155666200

IUPAC4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C22H14F2N2O2/c23-17-9-5-13(6-10-17)19-20(14-7-11-18(24)12-8-14)26-21(25-19)15-1-3-16(4-2-15)22(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyVNKQQFUUWLLPFG-UHFFFAOYSA-N
MW376.36 g/mol
LogP5.39
Rot. Bonds4

About 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid

4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid (PubChem CID 155666200) has the molecular formula C22H14F2N2O2 and a molecular weight of 376.36 g/mol. Its IUPAC name is 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
PubChem CID155666200
Molecular FormulaC22H14F2N2O2
Molecular Weight376.36 g/mol
Exact Mass376.10
IUPAC Name4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C22H14F2N2O2/c23-17-9-5-13(6-10-17)19-20(14-7-11-18(24)12-8-14)26-21(25-19)15-1-3-16(4-2-15)22(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyVNKQQFUUWLLPFG-UHFFFAOYSA-N
XLogP5.39
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.36
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid?
The IUPAC name of 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid (CID 155666200) is 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid?
The canonical SMILES for 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid is O=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)cc1.
What is the InChIKey of 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid?
The InChIKey is VNKQQFUUWLLPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O2/c23-17-9-5-13(6-10-17)19-20(14-7-11-18(24)12-8-14)26-21(25-19)15-1-3-16(4-2-15)22(27)28/h1-12H,(H,25,26)(H,27,28).
What are the key properties of 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid?
4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid has a molecular weight of 376.36 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid is sourced from PubChem (CID 155666200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).