4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid

C13H16N2O2 — CID 117336300

IUPAC4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccccc1N1C=NCC1
InChIInChI=1S/C13H16N2O2/c16-13(17)7-3-5-11-4-1-2-6-12(11)15-9-8-14-10-15/h1-2,4,6,10H,3,5,7-9H2,(H,16,17)
InChIKeyPJLXEYXCLCYALS-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.94
Rot. Bonds5

About 4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid

4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid (PubChem CID 117336300) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid
PubChem CID117336300
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccccc1N1C=NCC1
InChIInChI=1S/C13H16N2O2/c16-13(17)7-3-5-11-4-1-2-6-12(11)15-9-8-14-10-15/h1-2,4,6,10H,3,5,7-9H2,(H,16,17)
InChIKeyPJLXEYXCLCYALS-UHFFFAOYSA-N
XLogP1.94
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal
CID 117290887
4-[3-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid
CID 117336301
4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 117410285
4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid
CID 117404662
4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid
CID 22399182
3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid
CID 107273661
4-[2-(trifluoromethyl)phenyl]butanal;4-[2-(trifluoromethyl)phenyl]butanoic acid
CID 161321713
3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
4-[2-(12-bromododecyl)phenyl]butanoic acid
CID 23352565
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577
2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol
CID 117292773
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid?
The IUPAC name of 4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid (CID 117336300) is 4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid?
The canonical SMILES for 4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid is O=C(O)CCCc1ccccc1N1C=NCC1.
What is the InChIKey of 4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid?
The InChIKey is PJLXEYXCLCYALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(17)7-3-5-11-4-1-2-6-12(11)15-9-8-14-10-15/h1-2,4,6,10H,3,5,7-9H2,(H,16,17).
What are the key properties of 4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid?
4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 117336300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).