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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Related Compounds

(2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 2012635
3-(3-Fluorophenyl)-3-{(5-oxo-1-(3-{(benzylamino)carbonylamino}phenyl)pyrrolidin-3-yl)carbonylamino}propanoic acid
CID 22591754
(S)-2-{[4-(4-Fluoro-phenyl)-piperazine-1-carbonyl]-amino}-3-phenyl-propionic acid
CID 2001962
(S)-3-({(R)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrrolidine-3-carbonyl}-amino)-3-(3-fluoro-phenyl)-propionic acid
CID 44330039
(R)-3-({(R)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrrolidine-3-carbonyl}-amino)-3-(3-fluoro-phenyl)-propionic acid
CID 44330200
US11453690, Example C129
CID 139526462
US11453690, Example C128
CID 139526468
US11453690, Example C142
CID 139527082
US11453690, Example C156
CID 139527117
US11453690, Example C161
CID 149144239
US11453690, Example C114
CID 155783951
US11453690, Example C141
CID 155783957

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).