2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid

C12H11ClN2O3 — CID 82304592

IUPAC2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc[nH]c2CC(=O)O)c(Cl)c1
InChIInChI=1S/C12H11ClN2O3/c1-18-7-2-3-8(9(13)4-7)12-10(5-11(16)17)14-6-15-12/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyHTPFKTBLMIUFFH-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.37
Rot. Bonds4

About 2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid

2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid (PubChem CID 82304592) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
PubChem CID82304592
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc[nH]c2CC(=O)O)c(Cl)c1
InChIInChI=1S/C12H11ClN2O3/c1-18-7-2-3-8(9(13)4-7)12-10(5-11(16)17)14-6-15-12/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyHTPFKTBLMIUFFH-UHFFFAOYSA-N
XLogP2.37
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482947
2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82301640
2-[3-chloro-4-(3-methoxyphenyl)phenyl]acetic acid
CID 176516046
3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117386929
2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 39101589
ethyl 3-(2-chloro-4-methoxyphenyl)-4-ethyl-1H-pyrrole-2-carboxylate
CID 155906970
3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid
CID 53228156
[4-(2-chloro-4-methoxyphenyl)-2-methylphenyl]methanol
CID 70235094
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid
CID 118514715
2-(2-chloro-4-methoxyphenyl)-3-methylpyridine
CID 42624977
2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid
CID 11528862

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid (CID 82304592) is 2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid is COc1ccc(-c2nc[nH]c2CC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid?
The InChIKey is HTPFKTBLMIUFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-18-7-2-3-8(9(13)4-7)12-10(5-11(16)17)14-6-15-12/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid?
2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid has a molecular weight of 266.68 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 82304592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).