3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione

C21H24N2O4 — CID 139020276

IUPAC3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(CC2CCOCC2)C(=O)N1CCOc1ccc2ccccc2c1
InChIInChI=1S/C21H24N2O4/c24-20-19(13-15-7-10-26-11-8-15)22-21(25)23(20)9-12-27-18-6-5-16-3-1-2-4-17(16)14-18/h1-6,14-15,19H,7-13H2,(H,22,25)
InChIKeyBUKBCTOPRMIJRN-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.96
Rot. Bonds6

About 3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione

3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 139020276) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID139020276
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(CC2CCOCC2)C(=O)N1CCOc1ccc2ccccc2c1
InChIInChI=1S/C21H24N2O4/c24-20-19(13-15-7-10-26-11-8-15)22-21(25)23(20)9-12-27-18-6-5-16-3-1-2-4-17(16)14-18/h1-6,14-15,19H,7-13H2,(H,22,25)
InChIKeyBUKBCTOPRMIJRN-UHFFFAOYSA-N
XLogP2.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione (CID 139020276) is 3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione is O=C1NC(CC2CCOCC2)C(=O)N1CCOc1ccc2ccccc2c1.
What is the InChIKey of 3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is BUKBCTOPRMIJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20-19(13-15-7-10-26-11-8-15)22-21(25)23(20)9-12-27-18-6-5-16-3-1-2-4-17(16)14-18/h1-6,14-15,19H,7-13H2,(H,22,25).
What are the key properties of 3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione?
3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 368.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-2-yloxyethyl)-5-(oxan-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 139020276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).