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

C23H25FN2O3 — CID 12961720

IUPAC8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazol-1-yl]octanoic acid
SMILESO=C(O)CCCCCCCn1cc(-c2ccccc2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C23H25FN2O3/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/h4-6,9-10,12-15,17H,1-3,7-8,11,16H2,(H,27,28)
InChIKeyFTWOJQJVYNDJFP-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.87
Rot. Bonds10

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

8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazol-1-yl]octanoic acid (PubChem CID 12961720) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazol-1-yl]octanoic acid.

Molecular Properties

Compound Name8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazol-1-yl]octanoic acid
PubChem CID12961720
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazol-1-yl]octanoic acid
SMILESO=C(O)CCCCCCCn1cc(-c2ccccc2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C23H25FN2O3/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/h4-6,9-10,12-15,17H,1-3,7-8,11,16H2,(H,27,28)
InChIKeyFTWOJQJVYNDJFP-UHFFFAOYSA-N
XLogP4.87
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenylimidazol-1-yl]octanoic acid?
The IUPAC name of 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazol-1-yl]octanoic acid (CID 12961720) is 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazol-1-yl]octanoic acid.
What is the SMILES notation for 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazol-1-yl]octanoic acid?
The canonical SMILES for 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazol-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-phenylimidazol-1-yl]octanoic acid?
The InChIKey is FTWOJQJVYNDJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/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/h4-6,9-10,12-15,17H,1-3,7-8,11,16H2,(H,27,28).
What are the key properties of 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazol-1-yl]octanoic acid?
8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazol-1-yl]octanoic acid has a molecular weight of 396.46 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazol-1-yl]octanoic acid is sourced from PubChem (CID 12961720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).