2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid

C15H18N2O3 — CID 82306962

IUPAC2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid
SMILESCCOc1cc(C)c(-c2cn(CC(=O)O)cn2)cc1C
InChIInChI=1S/C15H18N2O3/c1-4-20-14-6-10(2)12(5-11(14)3)13-7-17(9-16-13)8-15(18)19/h5-7,9H,4,8H2,1-3H3,(H,18,19)
InChIKeyJGHPPCIXXYNXDK-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid

2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid (PubChem CID 82306962) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid
PubChem CID82306962
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid
SMILESCCOc1cc(C)c(-c2cn(CC(=O)O)cn2)cc1C
InChIInChI=1S/C15H18N2O3/c1-4-20-14-6-10(2)12(5-11(14)3)13-7-17(9-16-13)8-15(18)19/h5-7,9H,4,8H2,1-3H3,(H,18,19)
InChIKeyJGHPPCIXXYNXDK-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid
CID 82306448
2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid
CID 82303646
2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid
CID 82302594
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine
CID 82295331
4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82489030
2-(4-ethylimidazol-1-yl)acetic acid
CID 54402950
4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid
CID 82488485
2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid
CID 112514673
5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine
CID 82478515
3-(4-ethoxy-2,5-dimethylphenyl)-3-methylbutanoic acid
CID 82087443
(4-ethoxy-2,5-dimethylphenyl)boronic acid
CID 44558120

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid (CID 82306962) is 2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid is CCOc1cc(C)c(-c2cn(CC(=O)O)cn2)cc1C.
What is the InChIKey of 2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid?
The InChIKey is JGHPPCIXXYNXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-20-14-6-10(2)12(5-11(14)3)13-7-17(9-16-13)8-15(18)19/h5-7,9H,4,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid?
2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.65, 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-2,5-dimethylphenyl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 82306962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).