2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid

C11H10N2O3 — CID 117310612

IUPAC2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid
SMILESO=C(O)C(O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H10N2O3/c14-10(11(15)16)8-1-3-9(4-2-8)13-6-5-12-7-13/h1-7,10,14H,(H,15,16)
InChIKeyGZKSOKYSBVIJLN-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.99
Rot. Bonds3

About 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid

2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid (PubChem CID 117310612) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid
PubChem CID117310612
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid
SMILESO=C(O)C(O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H10N2O3/c14-10(11(15)16)8-1-3-9(4-2-8)13-6-5-12-7-13/h1-7,10,14H,(H,15,16)
InChIKeyGZKSOKYSBVIJLN-UHFFFAOYSA-N
XLogP0.99
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid
CID 66512415
methyl 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetate
CID 117335977
(2R)-2-hydroxy-2-(4-pyrrol-1-ylphenyl)acetic acid
CID 129389879
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid
CID 117344197
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
2-(4-imidazol-1-ylphenyl)propan-1-ol
CID 117290878
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid
CID 117311806
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid (CID 117310612) is 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid is O=C(O)C(O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid?
The InChIKey is GZKSOKYSBVIJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-10(11(15)16)8-1-3-9(4-2-8)13-6-5-12-7-13/h1-7,10,14H,(H,15,16).
What are the key properties of 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid?
2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid has a molecular weight of 218.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid is sourced from PubChem (CID 117310612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).