2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid

C12H12N2O4 — CID 117187276

IUPAC2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)nc1COc1ccccc1O
InChIInChI=1S/C12H12N2O4/c1-14-6-8(12(16)17)13-11(14)7-18-10-5-3-2-4-9(10)15/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyNZTHYLZVKXSRAO-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.40
Rot. Bonds4

About 2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid

2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid (PubChem CID 117187276) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid
PubChem CID117187276
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)nc1COc1ccccc1O
InChIInChI=1S/C12H12N2O4/c1-14-6-8(12(16)17)13-11(14)7-18-10-5-3-2-4-9(10)15/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyNZTHYLZVKXSRAO-UHFFFAOYSA-N
XLogP1.40
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187272
2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187383
1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid
CID 117187325
5-[(2-hydroxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 117217155
2-(ethylsulfanylmethyl)-1-methylimidazole-4-carboxylic acid
CID 117187447
5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 117215961
2-(ethylaminomethyl)-1-methylimidazole-4-carboxylic acid
CID 117187445
2-(ethylsulfonylmethyl)-1-methylimidazole-4-carboxylic acid
CID 117187211
2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole
CID 137403215
[1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine
CID 82304830
3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol
CID 117171302
2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
CID 117173539

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid (CID 117187276) is 2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid is Cn1cc(C(=O)O)nc1COc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid?
The InChIKey is NZTHYLZVKXSRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-14-6-8(12(16)17)13-11(14)7-18-10-5-3-2-4-9(10)15/h2-6,15H,7H2,1H3,(H,16,17).
What are the key properties of 2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid?
2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 117187276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).