3-(2-phenylimidazol-1-yl)butanoic acid

C13H14N2O2 — CID 53211630

IUPAC3-(2-phenylimidazol-1-yl)butanoic acid
SMILESCC(CC(=O)O)n1ccnc1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-10(9-12(16)17)15-8-7-14-13(15)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyLMMVMLAWIMUMFX-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.59
Rot. Bonds4

About 3-(2-phenylimidazol-1-yl)butanoic acid

3-(2-phenylimidazol-1-yl)butanoic acid (PubChem CID 53211630) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(2-phenylimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-phenylimidazol-1-yl)butanoic acid
PubChem CID53211630
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(2-phenylimidazol-1-yl)butanoic acid
SMILESCC(CC(=O)O)n1ccnc1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-10(9-12(16)17)15-8-7-14-13(15)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyLMMVMLAWIMUMFX-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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Related Compounds

2-phenyl-1-propan-2-ylimidazole
CID 12997870
2-(2-phenylimidazol-1-yl)butanoic acid
CID 61069183
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide
CID 71845814
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
benzene-1,2,4-tricarboxylic acid;tris(1-(2-phenylimidazol-1-yl)ethanamine)
CID 175423042
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
3-[2-[(3-chlorophenyl)-hydroxymethyl]imidazol-1-yl]butanoic acid
CID 174401931
N-methyl-2-phenyl-2-(2-phenylimidazol-1-yl)ethanamine
CID 62566802
bis(2-ethylhexyl) 2-(2-phenylimidazol-1-yl)butanedioate
CID 132539980
3-(2-oxo-3-propan-2-ylimidazol-1-yl)butanoic acid
CID 112545491
(3R)-3-(2-methylimidazol-1-yl)butanoate
CID 6940829

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylimidazol-1-yl)butanoic acid?
The IUPAC name of 3-(2-phenylimidazol-1-yl)butanoic acid (CID 53211630) is 3-(2-phenylimidazol-1-yl)butanoic acid.
What is the SMILES notation for 3-(2-phenylimidazol-1-yl)butanoic acid?
The canonical SMILES for 3-(2-phenylimidazol-1-yl)butanoic acid is CC(CC(=O)O)n1ccnc1-c1ccccc1.
What is the InChIKey of 3-(2-phenylimidazol-1-yl)butanoic acid?
The InChIKey is LMMVMLAWIMUMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10(9-12(16)17)15-8-7-14-13(15)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of 3-(2-phenylimidazol-1-yl)butanoic acid?
3-(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 3-(2-phenylimidazol-1-yl)butanoic acid is sourced from PubChem (CID 53211630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).