3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid

C16H11FN2O2 — CID 166571377

IUPAC3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnc(-c3ccccc3F)[nH]2)c1
InChIInChI=1S/C16H11FN2O2/c17-13-7-2-1-6-12(13)15-18-9-14(19-15)10-4-3-5-11(8-10)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeyWLAYEEXARXEDKX-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.58
Rot. Bonds3

About 3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid

3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid (PubChem CID 166571377) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid
PubChem CID166571377
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnc(-c3ccccc3F)[nH]2)c1
InChIInChI=1S/C16H11FN2O2/c17-13-7-2-1-6-12(13)15-18-9-14(19-15)10-4-3-5-11(8-10)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeyWLAYEEXARXEDKX-UHFFFAOYSA-N
XLogP3.58
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid?
The IUPAC name of 3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid (CID 166571377) is 3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid?
The canonical SMILES for 3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid is O=C(O)c1cccc(-c2cnc(-c3ccccc3F)[nH]2)c1.
What is the InChIKey of 3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid?
The InChIKey is WLAYEEXARXEDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-13-7-2-1-6-12(13)15-18-9-14(19-15)10-4-3-5-11(8-10)16(20)21/h1-9H,(H,18,19)(H,20,21).
What are the key properties of 3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid?
3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid has a molecular weight of 282.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-1H-imidazol-5-yl]benzoic acid is sourced from PubChem (CID 166571377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).