4-(2-phenylimidazol-1-yl)butanoic acid

C13H14N2O2 — CID 15307825

IUPAC4-(2-phenylimidazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1ccnc1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c16-12(17)7-4-9-15-10-8-14-13(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H,16,17)
InChIKeyQUDVHXPOVLZDQH-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.41
Rot. Bonds5

About 4-(2-phenylimidazol-1-yl)butanoic acid

4-(2-phenylimidazol-1-yl)butanoic acid (PubChem CID 15307825) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(2-phenylimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-phenylimidazol-1-yl)butanoic acid
PubChem CID15307825
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(2-phenylimidazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1ccnc1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c16-12(17)7-4-9-15-10-8-14-13(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H,16,17)
InChIKeyQUDVHXPOVLZDQH-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylimidazol-1-yl)butanoic acid?
The IUPAC name of 4-(2-phenylimidazol-1-yl)butanoic acid (CID 15307825) is 4-(2-phenylimidazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-phenylimidazol-1-yl)butanoic acid?
The canonical SMILES for 4-(2-phenylimidazol-1-yl)butanoic acid is O=C(O)CCCn1ccnc1-c1ccccc1.
What is the InChIKey of 4-(2-phenylimidazol-1-yl)butanoic acid?
The InChIKey is QUDVHXPOVLZDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12(17)7-4-9-15-10-8-14-13(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H,16,17).
What are the key properties of 4-(2-phenylimidazol-1-yl)butanoic acid?
4-(2-phenylimidazol-1-yl)butanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylimidazol-1-yl)butanoic acid is sourced from PubChem (CID 15307825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).