2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid

C13H13BrN2O3 — CID 84606297

IUPAC2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCCOc1ccc(-c2nc(Br)[nH]c2CC(=O)O)cc1
InChIInChI=1S/C13H13BrN2O3/c1-2-19-9-5-3-8(4-6-9)12-10(7-11(17)18)15-13(14)16-12/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyWJNARGIZRDDBPD-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.87
Rot. Bonds5

About 2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid

2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid (PubChem CID 84606297) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid
PubChem CID84606297
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCCOc1ccc(-c2nc(Br)[nH]c2CC(=O)O)cc1
InChIInChI=1S/C13H13BrN2O3/c1-2-19-9-5-3-8(4-6-9)12-10(7-11(17)18)15-13(14)16-12/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyWJNARGIZRDDBPD-UHFFFAOYSA-N
XLogP2.87
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 84611871
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82290525
2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid
CID 97035884
2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82295661
2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid
CID 82331853
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
2-[6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-7-yl]acetic acid
CID 18073417
2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid
CID 95466646
5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382902
6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate
CID 4653522
2-[2-(4-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 4280037

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid (CID 84606297) is 2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid is CCOc1ccc(-c2nc(Br)[nH]c2CC(=O)O)cc1.
What is the InChIKey of 2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid?
The InChIKey is WJNARGIZRDDBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-2-19-9-5-3-8(4-6-9)12-10(7-11(17)18)15-13(14)16-12/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid?
2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid has a molecular weight of 325.16 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(4-ethoxyphenyl)-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 84606297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).