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

C24H30N2O4 — CID 70520619

IUPAC8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid
SMILESCOc1ccc(N2C(=O)N(CCCCCCCC(=O)O)CC2c2ccccc2)cc1
InChIInChI=1S/C24H30N2O4/c1-30-21-15-13-20(14-16-21)26-22(19-10-6-5-7-11-19)18-25(24(26)29)17-9-4-2-3-8-12-23(27)28/h5-7,10-11,13-16,22H,2-4,8-9,12,17-18H2,1H3,(H,27,28)
InChIKeyJBNSDLTZICMZAG-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.10
Rot. Bonds11

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

8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid (PubChem CID 70520619) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid.

Molecular Properties

Compound Name8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid
PubChem CID70520619
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid
SMILESCOc1ccc(N2C(=O)N(CCCCCCCC(=O)O)CC2c2ccccc2)cc1
InChIInChI=1S/C24H30N2O4/c1-30-21-15-13-20(14-16-21)26-22(19-10-6-5-7-11-19)18-25(24(26)29)17-9-4-2-3-8-12-23(27)28/h5-7,10-11,13-16,22H,2-4,8-9,12,17-18H2,1H3,(H,27,28)
InChIKeyJBNSDLTZICMZAG-UHFFFAOYSA-N
XLogP5.10
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid?
The IUPAC name of 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid (CID 70520619) is 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid.
What is the SMILES notation for 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid?
The canonical SMILES for 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid is COc1ccc(N2C(=O)N(CCCCCCCC(=O)O)CC2c2ccccc2)cc1.
What is the InChIKey of 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid?
The InChIKey is JBNSDLTZICMZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-30-21-15-13-20(14-16-21)26-22(19-10-6-5-7-11-19)18-25(24(26)29)17-9-4-2-3-8-12-23(27)28/h5-7,10-11,13-16,22H,2-4,8-9,12,17-18H2,1H3,(H,27,28).
What are the key properties of 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid?
8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid has a molecular weight of 410.51 g/mol, XLogP of 5.10, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid is sourced from PubChem (CID 70520619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).