3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid

C19H16FN3O3 — CID 19032633

IUPAC3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid
SMILESN#Cc1ccc(-c2ccc(N3CCN(CCC(=O)O)C3=O)c(F)c2)cc1
InChIInChI=1S/C19H16FN3O3/c20-16-11-15(14-3-1-13(12-21)2-4-14)5-6-17(16)23-10-9-22(19(23)26)8-7-18(24)25/h1-6,11H,7-10H2,(H,24,25)
InChIKeyQSBJKEVKLUVXBF-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.08
Rot. Bonds5

About 3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid

3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid (PubChem CID 19032633) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid
PubChem CID19032633
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid
SMILESN#Cc1ccc(-c2ccc(N3CCN(CCC(=O)O)C3=O)c(F)c2)cc1
InChIInChI=1S/C19H16FN3O3/c20-16-11-15(14-3-1-13(12-21)2-4-14)5-6-17(16)23-10-9-22(19(23)26)8-7-18(24)25/h1-6,11H,7-10H2,(H,24,25)
InChIKeyQSBJKEVKLUVXBF-UHFFFAOYSA-N
XLogP3.08
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid (CID 19032633) is 3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid is N#Cc1ccc(-c2ccc(N3CCN(CCC(=O)O)C3=O)c(F)c2)cc1.
What is the InChIKey of 3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid?
The InChIKey is QSBJKEVKLUVXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-16-11-15(14-3-1-13(12-21)2-4-14)5-6-17(16)23-10-9-22(19(23)26)8-7-18(24)25/h1-6,11H,7-10H2,(H,24,25).
What are the key properties of 3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid?
3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid has a molecular weight of 353.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-cyanophenyl)-2-fluorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 19032633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).