8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid

C23H27FN2O3 — CID 70520124

IUPAC8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid
SMILESO=C(O)CCCCCCCN1CC(c2ccccc2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C23H27FN2O3/c24-19-12-14-20(15-13-19)26-21(18-9-5-4-6-10-18)17-25(23(26)29)16-8-3-1-2-7-11-22(27)28/h4-6,9-10,12-15,21H,1-3,7-8,11,16-17H2,(H,27,28)
InChIKeyOGLGNDHSOAESIT-UHFFFAOYSA-N
MW398.48 g/mol
LogP5.23
Rot. Bonds10

About 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid

8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid (PubChem CID 70520124) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid.

Molecular Properties

Compound Name8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid
PubChem CID70520124
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid
SMILESO=C(O)CCCCCCCN1CC(c2ccccc2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C23H27FN2O3/c24-19-12-14-20(15-13-19)26-21(18-9-5-4-6-10-18)17-25(23(26)29)16-8-3-1-2-7-11-22(27)28/h4-6,9-10,12-15,21H,1-3,7-8,11,16-17H2,(H,27,28)
InChIKeyOGLGNDHSOAESIT-UHFFFAOYSA-N
XLogP5.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid?
The IUPAC name of 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid (CID 70520124) is 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid.
What is the SMILES notation for 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid?
The canonical SMILES for 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid is O=C(O)CCCCCCCN1CC(c2ccccc2)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid?
The InChIKey is OGLGNDHSOAESIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c24-19-12-14-20(15-13-19)26-21(18-9-5-4-6-10-18)17-25(23(26)29)16-8-3-1-2-7-11-22(27)28/h4-6,9-10,12-15,21H,1-3,7-8,11,16-17H2,(H,27,28).
What are the key properties of 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid?
8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid has a molecular weight of 398.48 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid is sourced from PubChem (CID 70520124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).