2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid

C15H18N2O3 — CID 82306975

IUPAC2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid
SMILESCCc1cc(-c2cn(CC(=O)O)c(C)n2)ccc1OC
InChIInChI=1S/C15H18N2O3/c1-4-11-7-12(5-6-14(11)20-3)13-8-17(9-15(18)19)10(2)16-13/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeyWZVOLRFOWIDUCB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid

2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid (PubChem CID 82306975) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid
PubChem CID82306975
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid
SMILESCCc1cc(-c2cn(CC(=O)O)c(C)n2)ccc1OC
InChIInChI=1S/C15H18N2O3/c1-4-11-7-12(5-6-14(11)20-3)13-8-17(9-15(18)19)10(2)16-13/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeyWZVOLRFOWIDUCB-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
CID 82305966
2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid
CID 82299632
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
2-(3-ethyl-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886049
2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol
CID 116899575
6-(3-ethyl-4-methoxyphenyl)imidazo[1,2-b]pyridazine
CID 116854258
2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid
CID 86686613
4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid
CID 94285195
4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 116858418
5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82295690
2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 96664973
[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878283

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid (CID 82306975) is 2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid is CCc1cc(-c2cn(CC(=O)O)c(C)n2)ccc1OC.
What is the InChIKey of 2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid?
The InChIKey is WZVOLRFOWIDUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-11-7-12(5-6-14(11)20-3)13-8-17(9-15(18)19)10(2)16-13/h5-8H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid?
2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid is sourced from PubChem (CID 82306975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).