(5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione

C18H18N2O3 — CID 99779485

IUPAC(5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione
SMILESO=C1N[C@@H]([C@@H]2CCCOC2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C18H18N2O3/c21-17-16(13-7-4-10-23-11-13)19-18(22)20(17)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13,16H,4,7,10-11H2,(H,19,22)/t13-,16+/m1/s1
InChIKeyILIOABOYCIPMOQ-CJNGLKHVSA-N
MW310.35 g/mol
LogP2.69
Rot. Bonds2

About (5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione

(5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione (PubChem CID 99779485) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione
PubChem CID99779485
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione
SMILESO=C1N[C@@H]([C@@H]2CCCOC2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C18H18N2O3/c21-17-16(13-7-4-10-23-11-13)19-18(22)20(17)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13,16H,4,7,10-11H2,(H,19,22)/t13-,16+/m1/s1
InChIKeyILIOABOYCIPMOQ-CJNGLKHVSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione 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 (5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione (CID 99779485) is (5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione is O=C1N[C@@H]([C@@H]2CCCOC2)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of (5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione?
The InChIKey is ILIOABOYCIPMOQ-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17-16(13-7-4-10-23-11-13)19-18(22)20(17)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13,16H,4,7,10-11H2,(H,19,22)/t13-,16+/m1/s1.
What are the key properties of (5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione?
(5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione has a molecular weight of 310.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-naphthalen-1-yl-5-[(3S)-oxan-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 99779485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).