2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid

C13H13FN2O3 — CID 82303646

IUPAC2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid
SMILESCCOc1ccc(-c2cn(CC(=O)O)cn2)cc1F
InChIInChI=1S/C13H13FN2O3/c1-2-19-12-4-3-9(5-10(12)14)11-6-16(8-15-11)7-13(17)18/h3-6,8H,2,7H2,1H3,(H,17,18)
InChIKeyDECXWWMHOVRKEI-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.17
Rot. Bonds5

About 2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid

2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid (PubChem CID 82303646) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid
PubChem CID82303646
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid
SMILESCCOc1ccc(-c2cn(CC(=O)O)cn2)cc1F
InChIInChI=1S/C13H13FN2O3/c1-2-19-12-4-3-9(5-10(12)14)11-6-16(8-15-11)7-13(17)18/h3-6,8H,2,7H2,1H3,(H,17,18)
InChIKeyDECXWWMHOVRKEI-UHFFFAOYSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid
CID 82306962
2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid
CID 130447063
6-(4-ethoxy-3-fluorophenyl)imidazo[1,2-b]pyridazine
CID 116854261
3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82486573
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-1-yl]acetic acid
CID 82306789
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 69110371
4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 95478845
5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 82486561
4-(4-ethoxy-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82486560
4-amino-2-(4-ethoxy-3-fluorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82303643
1-[3-[4-(4-ethoxy-3-fluorophenyl)triazol-1-yl]azetidin-1-yl]-2-methoxyethanone
CID 166339209
4-(4-ethoxy-3-fluorophenyl)-1-(1-methylsulfonylazetidin-3-yl)triazole
CID 166339212

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid (CID 82303646) is 2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid is CCOc1ccc(-c2cn(CC(=O)O)cn2)cc1F.
What is the InChIKey of 2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid?
The InChIKey is DECXWWMHOVRKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-2-19-12-4-3-9(5-10(12)14)11-6-16(8-15-11)7-13(17)18/h3-6,8H,2,7H2,1H3,(H,17,18).
What are the key properties of 2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid?
2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid has a molecular weight of 264.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 82303646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).