2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid

C13H14N2O4 — CID 82302594

IUPAC2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid
SMILESCOc1ccc(OC)c(-c2cn(CC(=O)O)cn2)c1
InChIInChI=1S/C13H14N2O4/c1-18-9-3-4-12(19-2)10(5-9)11-6-15(8-14-11)7-13(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyJBXIAXZLXOCNPA-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.65
Rot. Bonds5

About 2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid

2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid (PubChem CID 82302594) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid
PubChem CID82302594
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid
SMILESCOc1ccc(OC)c(-c2cn(CC(=O)O)cn2)c1
InChIInChI=1S/C13H14N2O4/c1-18-9-3-4-12(19-2)10(5-9)11-6-15(8-14-11)7-13(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyJBXIAXZLXOCNPA-UHFFFAOYSA-N
XLogP1.65
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]acetic acid
CID 82121885
2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371033
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid
CID 82306962
2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
CID 82488923
2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid
CID 82306448
2-[[5-(2,5-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 104602319
2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid
CID 82303646
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 121083972
2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357020
2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302593
benzyl 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671802

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid (CID 82302594) is 2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid is COc1ccc(OC)c(-c2cn(CC(=O)O)cn2)c1.
What is the InChIKey of 2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid?
The InChIKey is JBXIAXZLXOCNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-9-3-4-12(19-2)10(5-9)11-6-15(8-14-11)7-13(16)17/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid?
2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid has a molecular weight of 262.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 82302594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).