3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid

C15H18N2O2 — CID 134371003

IUPAC3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid
SMILESCCCc1cncn1C(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-2-6-13-10-16-11-17(13)14(9-15(18)19)12-7-4-3-5-8-12/h3-5,7-8,10-11,14H,2,6,9H2,1H3,(H,18,19)
InChIKeyDJAUESBRNWLOFG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.90
Rot. Bonds6

About 3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid

3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid (PubChem CID 134371003) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid
PubChem CID134371003
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid
SMILESCCCc1cncn1C(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-2-6-13-10-16-11-17(13)14(9-15(18)19)12-7-4-3-5-8-12/h3-5,7-8,10-11,14H,2,6,9H2,1H3,(H,18,19)
InChIKeyDJAUESBRNWLOFG-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid?
The IUPAC name of 3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid (CID 134371003) is 3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid is CCCc1cncn1C(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid?
The InChIKey is DJAUESBRNWLOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-6-13-10-16-11-17(13)14(9-15(18)19)12-7-4-3-5-8-12/h3-5,7-8,10-11,14H,2,6,9H2,1H3,(H,18,19).
What are the key properties of 3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid?
3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid is sourced from PubChem (CID 134371003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).