2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid

C12H10N2O3 — CID 82474265

IUPAC2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
SMILESCc1ccccc1-c1ncc(C(=O)C(=O)O)[nH]1
InChIInChI=1S/C12H10N2O3/c1-7-4-2-3-5-8(7)11-13-6-9(14-11)10(15)12(16)17/h2-6H,1H3,(H,13,14)(H,16,17)
InChIKeyZZTOJTAUVADBPJ-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.65
Rot. Bonds3

About 2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid

2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid (PubChem CID 82474265) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
PubChem CID82474265
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
SMILESCc1ccccc1-c1ncc(C(=O)C(=O)O)[nH]1
InChIInChI=1S/C12H10N2O3/c1-7-4-2-3-5-8(7)11-13-6-9(14-11)10(15)12(16)17/h2-6H,1H3,(H,13,14)(H,16,17)
InChIKeyZZTOJTAUVADBPJ-UHFFFAOYSA-N
XLogP1.65
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid?
The IUPAC name of 2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid (CID 82474265) is 2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid is Cc1ccccc1-c1ncc(C(=O)C(=O)O)[nH]1.
What is the InChIKey of 2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid?
The InChIKey is ZZTOJTAUVADBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-7-4-2-3-5-8(7)11-13-6-9(14-11)10(15)12(16)17/h2-6H,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid?
2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid has a molecular weight of 230.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid is sourced from PubChem (CID 82474265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).