5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid

C13H14N2O3 — CID 116878539

IUPAC5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
SMILESCOc1cc(C)cc(C)c1-c1cnc(C(=O)O)[nH]1
InChIInChI=1S/C13H14N2O3/c1-7-4-8(2)11(10(5-7)18-3)9-6-14-12(15-9)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyQYMCIUSJPPRFFH-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.40
Rot. Bonds3

About 5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid

5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid (PubChem CID 116878539) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
PubChem CID116878539
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
SMILESCOc1cc(C)cc(C)c1-c1cnc(C(=O)O)[nH]1
InChIInChI=1S/C13H14N2O3/c1-7-4-8(2)11(10(5-7)18-3)9-6-14-12(15-9)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyQYMCIUSJPPRFFH-UHFFFAOYSA-N
XLogP2.40
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116878624
2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole
CID 116878216
2-amino-2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881587
5-(2-carboxy-1H-imidazol-5-yl)-1H-imidazole-2-carboxylic acid
CID 90717286
5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878527
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883164
5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid
CID 116878561
methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate
CID 116880350
methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate
CID 116880265
3-(2-methoxy-4,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117369814
2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479713
5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 106681054

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid (CID 116878539) is 5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid is COc1cc(C)cc(C)c1-c1cnc(C(=O)O)[nH]1.
What is the InChIKey of 5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid?
The InChIKey is QYMCIUSJPPRFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7-4-8(2)11(10(5-7)18-3)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-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid?
5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 116878539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).