3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid

C15H18N2O2 — CID 115054935

IUPAC3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid
SMILESCCn1cncc1-c1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C15H18N2O2/c1-3-17-10-16-9-14(17)13-6-4-12(5-7-13)8-11(2)15(18)19/h4-7,9-11H,3,8H2,1-2H3,(H,18,19)
InChIKeyRIXZLTIBWDCEHY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.83
Rot. Bonds5

About 3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid

3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid (PubChem CID 115054935) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid
PubChem CID115054935
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid
SMILESCCn1cncc1-c1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C15H18N2O2/c1-3-17-10-16-9-14(17)13-6-4-12(5-7-13)8-11(2)15(18)19/h4-7,9-11H,3,8H2,1-2H3,(H,18,19)
InChIKeyRIXZLTIBWDCEHY-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid
CID 115054937
2-methyl-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 82513030
3-[4-[4-(1-aminoethyl)phenyl]phenyl]-2-methylpropanoic acid
CID 166996996
2-(3-ethylimidazol-4-yl)propanoic acid
CID 83873746
1-(2-methylpropyl)-5-phenylimidazole
CID 58719875
1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 66134129
2-methyl-3-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 82513590
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
3-(3-ethylimidazol-4-yl)-5-fluorobenzoic acid
CID 164526864
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
(2R)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid
CID 14367773
2-methyl-3-[4-(2,2,2-trifluoroethyl)phenyl]propanoic acid
CID 84705639

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid (CID 115054935) is 3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid is CCn1cncc1-c1ccc(CC(C)C(=O)O)cc1.
What is the InChIKey of 3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid?
The InChIKey is RIXZLTIBWDCEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-17-10-16-9-14(17)13-6-4-12(5-7-13)8-11(2)15(18)19/h4-7,9-11H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid?
3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 115054935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).