9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid

C24H28N2O4 — CID 10250894

IUPAC9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid
SMILESO=C(O)CCCCCCCCN1C(=O)C(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C24H28N2O4/c27-21(28)17-11-3-1-2-4-12-18-25-23(29)22(19-13-7-5-8-14-19)26(24(25)30)20-15-9-6-10-16-20/h5-10,13-16,22H,1-4,11-12,17-18H2,(H,27,28)
InChIKeyJJFHTUZAYUEGQL-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.01
Rot. Bonds11

About 9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid

9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid (PubChem CID 10250894) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid.

Molecular Properties

Compound Name9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid
PubChem CID10250894
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid
SMILESO=C(O)CCCCCCCCN1C(=O)C(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C24H28N2O4/c27-21(28)17-11-3-1-2-4-12-18-25-23(29)22(19-13-7-5-8-14-19)26(24(25)30)20-15-9-6-10-16-20/h5-10,13-16,22H,1-4,11-12,17-18H2,(H,27,28)
InChIKeyJJFHTUZAYUEGQL-UHFFFAOYSA-N
XLogP5.01
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid?
The IUPAC name of 9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid (CID 10250894) is 9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid.
What is the SMILES notation for 9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid?
The canonical SMILES for 9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid is O=C(O)CCCCCCCCN1C(=O)C(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid?
The InChIKey is JJFHTUZAYUEGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-21(28)17-11-3-1-2-4-12-18-25-23(29)22(19-13-7-5-8-14-19)26(24(25)30)20-15-9-6-10-16-20/h5-10,13-16,22H,1-4,11-12,17-18H2,(H,27,28).
What are the key properties of 9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid?
9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid has a molecular weight of 408.50 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,5-dioxo-3,4-diphenylimidazolidin-1-yl)nonanoic acid is sourced from PubChem (CID 10250894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).