2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid

C13H14N2O4 — CID 117188427

IUPAC2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid
SMILESCOc1ccc(OCc2ncc(C(=O)O)n2C)cc1
InChIInChI=1S/C13H14N2O4/c1-15-11(13(16)17)7-14-12(15)8-19-10-5-3-9(18-2)4-6-10/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyHADLYGFSZVDEGQ-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.71
Rot. Bonds5

About 2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid

2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid (PubChem CID 117188427) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid
PubChem CID117188427
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid
SMILESCOc1ccc(OCc2ncc(C(=O)O)n2C)cc1
InChIInChI=1S/C13H14N2O4/c1-15-11(13(16)17)7-14-12(15)8-19-10-5-3-9(18-2)4-6-10/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyHADLYGFSZVDEGQ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-3-methylimidazole-4-carboxylic acid
CID 82375320
2-(hydroxymethyl)-3-methylimidazole-4-carboxylic acid
CID 117188464
2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 865042
3-methyl-2-(methylaminomethyl)imidazole-4-carboxylic acid
CID 117188318
phenyl 2-(methoxymethyl)-3-methylimidazole-4-carboxylate
CID 58592603
4-[(1,5-dimethylimidazol-2-yl)methoxy]phenol
CID 117188417
2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 865041
2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190487
5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82090734
2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190509
2-(4-bromophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190511
2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid
CID 82390131

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid (CID 117188427) is 2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid is COc1ccc(OCc2ncc(C(=O)O)n2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid?
The InChIKey is HADLYGFSZVDEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15-11(13(16)17)7-14-12(15)8-19-10-5-3-9(18-2)4-6-10/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid?
2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 117188427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).