imidazolidine-2,4-dione;octadec-9-enoic acid

C21H38N2O4 — CID 66931518

IUPACimidazolidine-2,4-dione;octadec-9-enoic acid
SMILESCCCCCCCCC=CCCCCCCCC(=O)O.O=C1CNC(=O)N1
InChIInChI=1S/C18H34O2.C3H4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-2-1-4-3(7)5-2/h9-10H,2-8,11-17H2,1H3,(H,19,20);1H2,(H2,4,5,6,7)
InChIKeyBKKUCNGRXFRMHE-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.93
Rot. Bonds15

About imidazolidine-2,4-dione;octadec-9-enoic acid

imidazolidine-2,4-dione;octadec-9-enoic acid (PubChem CID 66931518) has the molecular formula C21H38N2O4 and a molecular weight of 382.55 g/mol. Its IUPAC name is imidazolidine-2,4-dione;octadec-9-enoic acid.

Molecular Properties

Compound Nameimidazolidine-2,4-dione;octadec-9-enoic acid
PubChem CID66931518
Molecular FormulaC21H38N2O4
Molecular Weight382.55 g/mol
Exact Mass382.28
IUPAC Nameimidazolidine-2,4-dione;octadec-9-enoic acid
SMILESCCCCCCCCC=CCCCCCCCC(=O)O.O=C1CNC(=O)N1
InChIInChI=1S/C18H34O2.C3H4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-2-1-4-3(7)5-2/h9-10H,2-8,11-17H2,1H3,(H,19,20);1H2,(H2,4,5,6,7)
InChIKeyBKKUCNGRXFRMHE-UHFFFAOYSA-N
XLogP4.93
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazolidine-2,4-dione;octadec-9-enoic acid?
The IUPAC name of imidazolidine-2,4-dione;octadec-9-enoic acid (CID 66931518) is imidazolidine-2,4-dione;octadec-9-enoic acid.
What is the SMILES notation for imidazolidine-2,4-dione;octadec-9-enoic acid?
The canonical SMILES for imidazolidine-2,4-dione;octadec-9-enoic acid is CCCCCCCCC=CCCCCCCCC(=O)O.O=C1CNC(=O)N1.
What is the InChIKey of imidazolidine-2,4-dione;octadec-9-enoic acid?
The InChIKey is BKKUCNGRXFRMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2.C3H4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-2-1-4-3(7)5-2/h9-10H,2-8,11-17H2,1H3,(H,19,20);1H2,(H2,4,5,6,7).
What are the key properties of imidazolidine-2,4-dione;octadec-9-enoic acid?
imidazolidine-2,4-dione;octadec-9-enoic acid has a molecular weight of 382.55 g/mol, XLogP of 4.93, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-2,4-dione;octadec-9-enoic acid is sourced from PubChem (CID 66931518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).