2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid

C14H16N2O2 — CID 114994262

IUPAC2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid
SMILESCCc1ccc(C(C)(C(=O)O)n2ccnc2)cc1
InChIInChI=1S/C14H16N2O2/c1-3-11-4-6-12(7-5-11)14(2,13(17)18)16-9-8-15-10-16/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyATFNSDJKDABYAZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.29
Rot. Bonds4

About 2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid

2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid (PubChem CID 114994262) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid
PubChem CID114994262
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid
SMILESCCc1ccc(C(C)(C(=O)O)n2ccnc2)cc1
InChIInChI=1S/C14H16N2O2/c1-3-11-4-6-12(7-5-11)14(2,13(17)18)16-9-8-15-10-16/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyATFNSDJKDABYAZ-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid
CID 114990903
2-imidazol-1-yl-2-phenylpentanoic acid
CID 114994268
CID 67903754
CID 67903754
1-(4-tert-butylphenyl)-3-imidazol-1-ylpropan-2-one
CID 20518906
2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 63703764
4-(4-ethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727213
2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 55232403
3-(diethylamino)-3-(4-ethylphenyl)butanoic acid
CID 64527978
1-tert-butyl-4-ethylbenzene
CID 157359507
2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid
CID 114992341
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
2-imidazol-1-ylpropan-2-ol
CID 57110355

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid?
The IUPAC name of 2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid (CID 114994262) is 2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid?
The canonical SMILES for 2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid is CCc1ccc(C(C)(C(=O)O)n2ccnc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid?
The InChIKey is ATFNSDJKDABYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-11-4-6-12(7-5-11)14(2,13(17)18)16-9-8-15-10-16/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid?
2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-imidazol-1-ylpropanoic acid is sourced from PubChem (CID 114994262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).