1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid

C12H12N2O3 — CID 24825632

IUPAC1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(C(CO)c2ccccc2)cn1
InChIInChI=1S/C12H12N2O3/c15-7-11(9-4-2-1-3-5-9)14-6-10(12(16)17)13-8-14/h1-6,8,11,15H,7H2,(H,16,17)
InChIKeyLPYQWWMMDQOAQT-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.16
Rot. Bonds4

About 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid

1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid (PubChem CID 24825632) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid
PubChem CID24825632
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(C(CO)c2ccccc2)cn1
InChIInChI=1S/C12H12N2O3/c15-7-11(9-4-2-1-3-5-9)14-6-10(12(16)17)13-8-14/h1-6,8,11,15H,7H2,(H,16,17)
InChIKeyLPYQWWMMDQOAQT-UHFFFAOYSA-N
XLogP1.16
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid (CID 24825632) is 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid is O=C(O)c1cn(C(CO)c2ccccc2)cn1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid?
The InChIKey is LPYQWWMMDQOAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-7-11(9-4-2-1-3-5-9)14-6-10(12(16)17)13-8-14/h1-6,8,11,15H,7H2,(H,16,17).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid?
1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 24825632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).