1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione

C17H20N2O3 — CID 84602875

IUPAC1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C17H20N2O3/c20-15-16(21)19(14-10-4-5-11-14)17(22)18(15)12-6-9-13-7-2-1-3-8-13/h1-3,7-8,14H,4-6,9-12H2
InChIKeyMSZIQMBAMBDVLY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.35
Rot. Bonds5

About 1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione

1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione (PubChem CID 84602875) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione
PubChem CID84602875
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C17H20N2O3/c20-15-16(21)19(14-10-4-5-11-14)17(22)18(15)12-6-9-13-7-2-1-3-8-13/h1-3,7-8,14H,4-6,9-12H2
InChIKeyMSZIQMBAMBDVLY-UHFFFAOYSA-N
XLogP2.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione (CID 84602875) is 1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione is O=C1C(=O)N(C2CCCC2)C(=O)N1CCCc1ccccc1.
What is the InChIKey of 1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione?
The InChIKey is MSZIQMBAMBDVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-15-16(21)19(14-10-4-5-11-14)17(22)18(15)12-6-9-13-7-2-1-3-8-13/h1-3,7-8,14H,4-6,9-12H2.
What are the key properties of 1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione?
1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione has a molecular weight of 300.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 84602875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).