4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid

C22H15FN2O4 — CID 155184289

IUPAC4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2cc(-c3ccccc3O)nc2-c2cc(F)ccc2O)cc1
InChIInChI=1S/C22H15FN2O4/c23-14-7-10-20(27)17(11-14)21-24-18(16-3-1-2-4-19(16)26)12-25(21)15-8-5-13(6-9-15)22(28)29/h1-12,26-27H,(H,28,29)
InChIKeyAXGBELUGBNJOEC-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.45
Rot. Bonds4

About 4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid

4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid (PubChem CID 155184289) has the molecular formula C22H15FN2O4 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid
PubChem CID155184289
Molecular FormulaC22H15FN2O4
Molecular Weight390.37 g/mol
Exact Mass390.10
IUPAC Name4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2cc(-c3ccccc3O)nc2-c2cc(F)ccc2O)cc1
InChIInChI=1S/C22H15FN2O4/c23-14-7-10-20(27)17(11-14)21-24-18(16-3-1-2-4-19(16)26)12-25(21)15-8-5-13(6-9-15)22(28)29/h1-12,26-27H,(H,28,29)
InChIKeyAXGBELUGBNJOEC-UHFFFAOYSA-N
XLogP4.45
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid
CID 155184344
4-(5-fluoroindol-1-yl)benzoic acid
CID 56689281
2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol
CID 171732512
2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid
CID 94946644
4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
CID 53225677
6-(2-hydroxyphenyl)pyridine-3-carboxylic acid
CID 135741475
2-(2,5-difluorophenyl)phenol
CID 53218546
5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol
CID 59251368
4-fluoro-2-(3-methylimidazo[4,5-b]pyridin-2-yl)phenol
CID 137010368
4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid
CID 130424057
4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
CID 53225716

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid?
The IUPAC name of 4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid (CID 155184289) is 4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid?
The canonical SMILES for 4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid is O=C(O)c1ccc(-n2cc(-c3ccccc3O)nc2-c2cc(F)ccc2O)cc1.
What is the InChIKey of 4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid?
The InChIKey is AXGBELUGBNJOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O4/c23-14-7-10-20(27)17(11-14)21-24-18(16-3-1-2-4-19(16)26)12-25(21)15-8-5-13(6-9-15)22(28)29/h1-12,26-27H,(H,28,29).
What are the key properties of 4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid?
4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid has a molecular weight of 390.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid is sourced from PubChem (CID 155184289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).