3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid

C11H10N2O4 — CID 82475750

IUPAC3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCOc1cccc(-n2c(C(=O)O)c[nH]c2=O)c1
InChIInChI=1S/C11H10N2O4/c1-17-8-4-2-3-7(5-8)13-9(10(14)15)6-12-11(13)16/h2-6H,1H3,(H,12,16)(H,14,15)
InChIKeyAZYSOSPWAYJICI-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.87
Rot. Bonds3

About 3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid

3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid (PubChem CID 82475750) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
PubChem CID82475750
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCOc1cccc(-n2c(C(=O)O)c[nH]c2=O)c1
InChIInChI=1S/C11H10N2O4/c1-17-8-4-2-3-7(5-8)13-9(10(14)15)6-12-11(13)16/h2-6H,1H3,(H,12,16)(H,14,15)
InChIKeyAZYSOSPWAYJICI-UHFFFAOYSA-N
XLogP0.87
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82472009
3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82486235
3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475054
N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7080837
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4113283
3-(3-acetylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-one
CID 123175085
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100
N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide
CID 142157764
2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 66920137
1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid
CID 99987427
1-(3-methoxyphenyl)-5-oxo-2H-triazole-4-carboxylic acid
CID 23008892
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The IUPAC name of 3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid (CID 82475750) is 3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid is COc1cccc(-n2c(C(=O)O)c[nH]c2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The InChIKey is AZYSOSPWAYJICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-17-8-4-2-3-7(5-8)13-9(10(14)15)6-12-11(13)16/h2-6H,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82475750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).