3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid

C12H12N2O3 — CID 82475054

IUPAC3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCc1cccc(C)c1-n1c(C(=O)O)c[nH]c1=O
InChIInChI=1S/C12H12N2O3/c1-7-4-3-5-8(2)10(7)14-9(11(15)16)6-13-12(14)17/h3-6H,1-2H3,(H,13,17)(H,15,16)
InChIKeyPCIYCHUZYIYFQB-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.48
Rot. Bonds2

About 3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid

3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid (PubChem CID 82475054) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
PubChem CID82475054
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCc1cccc(C)c1-n1c(C(=O)O)c[nH]c1=O
InChIInChI=1S/C12H12N2O3/c1-7-4-3-5-8(2)10(7)14-9(11(15)16)6-13-12(14)17/h3-6H,1-2H3,(H,13,17)(H,15,16)
InChIKeyPCIYCHUZYIYFQB-UHFFFAOYSA-N
XLogP1.48
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The IUPAC name of 3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid (CID 82475054) is 3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid is Cc1cccc(C)c1-n1c(C(=O)O)c[nH]c1=O.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The InChIKey is PCIYCHUZYIYFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-4-3-5-8(2)10(7)14-9(11(15)16)6-13-12(14)17/h3-6H,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82475054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).