2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride

C11H11ClN2O2 — CID 122163959

IUPAC2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H10N2O2.ClH/c14-11(15)7-9-1-3-10(4-2-9)13-6-5-12-8-13;/h1-6,8H,7H2,(H,14,15);1H
InChIKeyWPHJKMVPMYVYHS-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.92
Rot. Bonds3

About 2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride

2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride (PubChem CID 122163959) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
PubChem CID122163959
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H10N2O2.ClH/c14-11(15)7-9-1-3-10(4-2-9)13-6-5-12-8-13;/h1-6,8H,7H2,(H,14,15);1H
InChIKeyWPHJKMVPMYVYHS-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
3-(4-imidazol-1-ylphenyl)-2-oxo-1-phenylpropane-1-sulfonic acid
CID 149457526
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone
CID 126840362
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281
N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 136587080
(E)-4-(4-imidazol-1-ylphenyl)but-3-enoic acid
CID 15045263
N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide
CID 36626917
2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid
CID 117310612
(4-imidazol-1-ylphenyl) acetate
CID 594823
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride?
The IUPAC name of 2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride (CID 122163959) is 2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride?
The canonical SMILES for 2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride is Cl.O=C(O)Cc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride?
The InChIKey is WPHJKMVPMYVYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.ClH/c14-11(15)7-9-1-3-10(4-2-9)13-6-5-12-8-13;/h1-6,8H,7H2,(H,14,15);1H.
What are the key properties of 2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride?
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride has a molecular weight of 238.67 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride is sourced from PubChem (CID 122163959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).