3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid

C12H14N2O2 — CID 57110015

IUPAC3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid
SMILESO=C(O)CCN1CCN=C1c1ccccc1
InChIInChI=1S/C12H14N2O2/c15-11(16)6-8-14-9-7-13-12(14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)
InChIKeyZOCKGYKFSYSHJZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.22
Rot. Bonds4

About 3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid

3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid (PubChem CID 57110015) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid
PubChem CID57110015
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid
SMILESO=C(O)CCN1CCN=C1c1ccccc1
InChIInChI=1S/C12H14N2O2/c15-11(16)6-8-14-9-7-13-12(14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)
InChIKeyZOCKGYKFSYSHJZ-UHFFFAOYSA-N
XLogP1.22
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid (CID 57110015) is 3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid is O=C(O)CCN1CCN=C1c1ccccc1.
What is the InChIKey of 3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid?
The InChIKey is ZOCKGYKFSYSHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11(16)6-8-14-9-7-13-12(14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16).
What are the key properties of 3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid?
3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanoic acid is sourced from PubChem (CID 57110015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).