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

C21H14FN3O2 — CID 11057468

IUPAC4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H14FN3O2/c22-17-7-5-13(6-8-17)18-19(14-9-11-23-12-10-14)25-20(24-18)15-1-3-16(4-2-15)21(26)27/h1-12H,(H,24,25)(H,26,27)
InChIKeyLPNSUJMINOXWJC-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.64
Rot. Bonds4

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

4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid (PubChem CID 11057468) has the molecular formula C21H14FN3O2 and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid
PubChem CID11057468
Molecular FormulaC21H14FN3O2
Molecular Weight359.36 g/mol
Exact Mass359.11
IUPAC Name4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H14FN3O2/c22-17-7-5-13(6-8-17)18-19(14-9-11-23-12-10-14)25-20(24-18)15-1-3-16(4-2-15)21(26)27/h1-12H,(H,24,25)(H,26,27)
InChIKeyLPNSUJMINOXWJC-UHFFFAOYSA-N
XLogP4.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid (CID 11057468) is 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid is O=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid?
The InChIKey is LPNSUJMINOXWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2/c22-17-7-5-13(6-8-17)18-19(14-9-11-23-12-10-14)25-20(24-18)15-1-3-16(4-2-15)21(26)27/h1-12H,(H,24,25)(H,26,27).
What are the key properties of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid?
4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid has a molecular weight of 359.36 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoic acid is sourced from PubChem (CID 11057468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).