2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid

C11H10N2O3 — CID 84683444

IUPAC2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(-c2cccc(O)c2)[nH]1
InChIInChI=1S/C11H10N2O3/c14-8-3-1-2-7(4-8)9-6-12-10(13-9)5-11(15)16/h1-4,6,14H,5H2,(H,12,13)(H,15,16)
InChIKeyYWQWUZLTBJAQNY-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.41
Rot. Bonds3

About 2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid

2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid (PubChem CID 84683444) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid
PubChem CID84683444
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(-c2cccc(O)c2)[nH]1
InChIInChI=1S/C11H10N2O3/c14-8-3-1-2-7(4-8)9-6-12-10(13-9)5-11(15)16/h1-4,6,14H,5H2,(H,12,13)(H,15,16)
InChIKeyYWQWUZLTBJAQNY-UHFFFAOYSA-N
XLogP1.41
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid (CID 84683444) is 2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid is O=C(O)Cc1ncc(-c2cccc(O)c2)[nH]1.
What is the InChIKey of 2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid?
The InChIKey is YWQWUZLTBJAQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-8-3-1-2-7(4-8)9-6-12-10(13-9)5-11(15)16/h1-4,6,14H,5H2,(H,12,13)(H,15,16).
What are the key properties of 2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid?
2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid has a molecular weight of 218.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid is sourced from PubChem (CID 84683444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).