1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid

C11H10N2O3 — CID 13478008

IUPAC1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1Cc1ccc(O)cc1
InChIInChI=1S/C11H10N2O3/c14-9-3-1-8(2-4-9)7-13-6-5-12-10(13)11(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyLLGCUNZOZLGRNP-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.34
Rot. Bonds3

About 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid

1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid (PubChem CID 13478008) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid
PubChem CID13478008
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1Cc1ccc(O)cc1
InChIInChI=1S/C11H10N2O3/c14-9-3-1-8(2-4-9)7-13-6-5-12-10(13)11(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyLLGCUNZOZLGRNP-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid (CID 13478008) is 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid is O=C(O)c1nccn1Cc1ccc(O)cc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid?
The InChIKey is LLGCUNZOZLGRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-9-3-1-8(2-4-9)7-13-6-5-12-10(13)11(15)16/h1-6,14H,7H2,(H,15,16).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid?
1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid is sourced from PubChem (CID 13478008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).