2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid

C12H14N2O3 — CID 82243185

IUPAC2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid
SMILESCC(Oc1ccccc1C1=NCCN1)C(=O)O
InChIInChI=1S/C12H14N2O3/c1-8(12(15)16)17-10-5-3-2-4-9(10)11-13-6-7-14-11/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyTVZUSISPEBHVBQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.89
Rot. Bonds4

About 2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid

2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid (PubChem CID 82243185) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid
PubChem CID82243185
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid
SMILESCC(Oc1ccccc1C1=NCCN1)C(=O)O
InChIInChI=1S/C12H14N2O3/c1-8(12(15)16)17-10-5-3-2-4-9(10)11-13-6-7-14-11/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyTVZUSISPEBHVBQ-UHFFFAOYSA-N
XLogP0.89
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid
CID 22227306
2-[2-(5-methyl-1H-pyrazol-4-yl)phenoxy]propanoic acid
CID 122571803
2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82249041
2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline
CID 82241350
2-(2-methoxycarbonylphenoxy)propanoic acid
CID 117053908
2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid
CID 167765117
3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
CID 82245948
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
2-(3-pyridin-4-yl-2-sulfanylphenoxy)propanoic acid
CID 135960883
3-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]pyridine
CID 11265631
2-[(1S)-1-[2-(3-nitrophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole;oxalic acid
CID 16757183
(2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid
CID 103338212

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid?
The IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid (CID 82243185) is 2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid?
The canonical SMILES for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid is CC(Oc1ccccc1C1=NCCN1)C(=O)O.
What is the InChIKey of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid?
The InChIKey is TVZUSISPEBHVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(12(15)16)17-10-5-3-2-4-9(10)11-13-6-7-14-11/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid?
2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid has a molecular weight of 234.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid is sourced from PubChem (CID 82243185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).