2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid

C11H9ClN2O3 — CID 117187269

IUPAC2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(COc2ccccc2Cl)[nH]1
InChIInChI=1S/C11H9ClN2O3/c12-7-3-1-2-4-9(7)17-6-10-13-5-8(14-10)11(15)16/h1-5H,6H2,(H,13,14)(H,15,16)
InChIKeyFLYLMJHWZCHZQJ-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.34
Rot. Bonds4

About 2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid

2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid (PubChem CID 117187269) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid
PubChem CID117187269
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(COc2ccccc2Cl)[nH]1
InChIInChI=1S/C11H9ClN2O3/c12-7-3-1-2-4-9(7)17-6-10-13-5-8(14-10)11(15)16/h1-5H,6H2,(H,13,14)(H,15,16)
InChIKeyFLYLMJHWZCHZQJ-UHFFFAOYSA-N
XLogP2.34
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-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

2-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251173
2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride
CID 155943279
2-[3-(2-chlorophenoxy)propyl]propanedioic acid
CID 174289413
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
5-[(2-chlorophenoxy)methyl]-1-ethylpyrazole-4-carboxylic acid
CID 117217942
2-[(5-amino-1H-imidazol-2-yl)methoxy]phenol
CID 117187252
2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117173534
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 135419005
2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid
CID 117221100
2-propyl-1H-imidazole-5-carboxylic acid
CID 10511057
2-[(2-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187272

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid (CID 117187269) is 2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(COc2ccccc2Cl)[nH]1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is FLYLMJHWZCHZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c12-7-3-1-2-4-9(7)17-6-10-13-5-8(14-10)11(15)16/h1-5H,6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid?
2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 252.66 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 117187269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).