2-(2-phenylimidazol-1-yl)butanoic acid

C13H14N2O2 — CID 61069183

IUPAC2-(2-phenylimidazol-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1ccnc1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-2-11(13(16)17)15-9-8-14-12(15)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3,(H,16,17)
InChIKeyCHFNNVLMGLGFMH-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.59
Rot. Bonds4

About 2-(2-phenylimidazol-1-yl)butanoic acid

2-(2-phenylimidazol-1-yl)butanoic acid (PubChem CID 61069183) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(2-phenylimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-phenylimidazol-1-yl)butanoic acid
PubChem CID61069183
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(2-phenylimidazol-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1ccnc1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-2-11(13(16)17)15-9-8-14-12(15)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3,(H,16,17)
InChIKeyCHFNNVLMGLGFMH-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylimidazol-1-yl)butanoic acid?
The IUPAC name of 2-(2-phenylimidazol-1-yl)butanoic acid (CID 61069183) is 2-(2-phenylimidazol-1-yl)butanoic acid.
What is the SMILES notation for 2-(2-phenylimidazol-1-yl)butanoic acid?
The canonical SMILES for 2-(2-phenylimidazol-1-yl)butanoic acid is CCC(C(=O)O)n1ccnc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylimidazol-1-yl)butanoic acid?
The InChIKey is CHFNNVLMGLGFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-11(13(16)17)15-9-8-14-12(15)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3,(H,16,17).
What are the key properties of 2-(2-phenylimidazol-1-yl)butanoic acid?
2-(2-phenylimidazol-1-yl)butanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylimidazol-1-yl)butanoic acid is sourced from PubChem (CID 61069183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).