2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid

C12H12N2O2 — CID 115029533

IUPAC2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1-c1cnc[nH]1
InChIInChI=1S/C12H12N2O2/c1-8(12(15)16)9-4-2-3-5-10(9)11-6-13-7-14-11/h2-8H,1H3,(H,13,14)(H,15,16)
InChIKeyADQFGINKBKGPQH-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.26
Rot. Bonds3

About 2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid

2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid (PubChem CID 115029533) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid
PubChem CID115029533
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1-c1cnc[nH]1
InChIInChI=1S/C12H12N2O2/c1-8(12(15)16)9-4-2-3-5-10(9)11-6-13-7-14-11/h2-8H,1H3,(H,13,14)(H,15,16)
InChIKeyADQFGINKBKGPQH-UHFFFAOYSA-N
XLogP2.26
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
bis[2-(1H-imidazol-5-yl)phenyl]methanone
CID 118549351
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386
lithium;(2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoic acid;hydride
CID 173053721
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
2-(1H-imidazol-5-yl)aniline
CID 14698017
[2-(1H-imidazol-5-yl)phenyl]methanamine
CID 21023616
2-(1H-imidazol-5-yl)aniline;dihydrochloride
CID 155973164
2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
2-[2-(3-fluorophenyl)phenyl]propanoic acid
CID 19601785
2-(2-amino-3-phenylphenyl)propanoic acid
CID 68810052
2-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)propanoic acid;ethane
CID 70538412

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid (CID 115029533) is 2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid is CC(C(=O)O)c1ccccc1-c1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid?
The InChIKey is ADQFGINKBKGPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(12(15)16)9-4-2-3-5-10(9)11-6-13-7-14-11/h2-8H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid?
2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 115029533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).