5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid

C13H14N2O4 — CID 116878527

IUPAC5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid
SMILESCOc1ccc(-c2cnc(C(=O)O)[nH]2)c(OC)c1C
InChIInChI=1S/C13H14N2O4/c1-7-10(18-2)5-4-8(11(7)19-3)9-6-14-12(15-9)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyHHIVGUHQKWAXQT-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.10
Rot. Bonds4

About 5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid

5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid (PubChem CID 116878527) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid
PubChem CID116878527
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid
SMILESCOc1ccc(-c2cnc(C(=O)O)[nH]2)c(OC)c1C
InChIInChI=1S/C13H14N2O4/c1-7-10(18-2)5-4-8(11(7)19-3)9-6-14-12(15-9)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyHHIVGUHQKWAXQT-UHFFFAOYSA-N
XLogP2.10
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazol-2-yl]ethanol
CID 116878374
5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878539
5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
CID 98021686
2-(2,4-dimethoxy-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 98020629
[5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884138
4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
CID 98021685
1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone
CID 116880628
5-(5-fluoro-2-methoxyphenyl)-1H-imidazole-2-carboxamide
CID 116883943
5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82295152
1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82302163
1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880660
5-(2,4-dimethoxy-3-methylphenyl)-1H-pyrazole-3-carbonitrile
CID 116858553

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid (CID 116878527) is 5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid is COc1ccc(-c2cnc(C(=O)O)[nH]2)c(OC)c1C.
What is the InChIKey of 5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid?
The InChIKey is HHIVGUHQKWAXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-10(18-2)5-4-8(11(7)19-3)9-6-14-12(15-9)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid?
5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 116878527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).