3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid

C12H12N2O5 — CID 82486235

IUPAC3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCOc1ccc(OC)c(-n2c(C(=O)O)c[nH]c2=O)c1
InChIInChI=1S/C12H12N2O5/c1-18-7-3-4-10(19-2)8(5-7)14-9(11(15)16)6-13-12(14)17/h3-6H,1-2H3,(H,13,17)(H,15,16)
InChIKeyHAVFPYFFHDZKFH-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.88
Rot. Bonds4

About 3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid

3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid (PubChem CID 82486235) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
PubChem CID82486235
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCOc1ccc(OC)c(-n2c(C(=O)O)c[nH]c2=O)c1
InChIInChI=1S/C12H12N2O5/c1-18-7-3-4-10(19-2)8(5-7)14-9(11(15)16)6-13-12(14)17/h3-6H,1-2H3,(H,13,17)(H,15,16)
InChIKeyHAVFPYFFHDZKFH-UHFFFAOYSA-N
XLogP0.88
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475750
3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475054
1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
CID 3439773
1-(2,5-dimethoxyphenyl)imidazolidine-2,4-dione
CID 4770213
5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 80643071
3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazole-4-carboxylic acid
CID 82485418
N-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028328
2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid
CID 21203784
1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39375252
4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid
CID 117009152
[(3R,4R)-4-benzoyloxy-1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126306160

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid (CID 82486235) is 3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid is COc1ccc(OC)c(-n2c(C(=O)O)c[nH]c2=O)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The InChIKey is HAVFPYFFHDZKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-18-7-3-4-10(19-2)8(5-7)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-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82486235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).