5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid

C12H12N2O4 — CID 115005649

IUPAC5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid
SMILESCOc1ccc(OCc2[nH]cnc2C(=O)O)cc1
InChIInChI=1S/C12H12N2O4/c1-17-8-2-4-9(5-3-8)18-6-10-11(12(15)16)14-7-13-10/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyJUCSOUYLBMAAPV-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.70
Rot. Bonds5

About 5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid

5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid (PubChem CID 115005649) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid
PubChem CID115005649
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid
SMILESCOc1ccc(OCc2[nH]cnc2C(=O)O)cc1
InChIInChI=1S/C12H12N2O4/c1-17-8-2-4-9(5-3-8)18-6-10-11(12(15)16)14-7-13-10/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyJUCSOUYLBMAAPV-UHFFFAOYSA-N
XLogP1.70
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-methoxyphenoxy)methyl]-2H-triazole-4-carboxylic acid
CID 117214219
5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82087072
4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid
CID 117214385
5-(ethylsulfonylmethyl)-1H-imidazole-4-carboxylic acid
CID 117214135
2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 865042
3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255306
5-[(2-bromo-4-methoxyphenyl)-hydroxymethyl]-1H-imidazole-4-carboxylic acid
CID 116520303
5-[(4-ethoxyphenyl)-hydroxymethyl]-1H-imidazole-4-carboxylic acid
CID 116520275
2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid
CID 117188427
azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 131666805
5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82090734
4,5-bis[(4-methoxyphenyl)methyl]-1H-imidazole
CID 154346449

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid (CID 115005649) is 5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid is COc1ccc(OCc2[nH]cnc2C(=O)O)cc1.
What is the InChIKey of 5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid?
The InChIKey is JUCSOUYLBMAAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-17-8-2-4-9(5-3-8)18-6-10-11(12(15)16)14-7-13-10/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid?
5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 115005649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).