2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid

C12H10N2O5 — CID 121001392

IUPAC2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)O)c(C(=O)O)[nH]1
InChIInChI=1S/C12H10N2O5/c1-19-7-5-3-2-4-6(7)10-13-8(11(15)16)9(14-10)12(17)18/h2-5H,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyRUEOUVQDAWVOHH-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.48
Rot. Bonds4

About 2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid

2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid (PubChem CID 121001392) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
PubChem CID121001392
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)O)c(C(=O)O)[nH]1
InChIInChI=1S/C12H10N2O5/c1-19-7-5-3-2-4-6(7)10-13-8(11(15)16)9(14-10)12(17)18/h2-5H,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyRUEOUVQDAWVOHH-UHFFFAOYSA-N
XLogP1.48
TPSA112.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445134
2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475427
methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate
CID 43445130
3-amino-4-(2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082687
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301524
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 63362576
5-(2-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxylic acid
CID 53271857
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
3-[2-(2-methoxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973589
ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605551
5-(2-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 22507236

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid?
The IUPAC name of 2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid (CID 121001392) is 2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid is COc1ccccc1-c1nc(C(=O)O)c(C(=O)O)[nH]1.
What is the InChIKey of 2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid?
The InChIKey is RUEOUVQDAWVOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-19-7-5-3-2-4-6(7)10-13-8(11(15)16)9(14-10)12(17)18/h2-5H,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid?
2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid has a molecular weight of 262.22 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid is sourced from PubChem (CID 121001392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).