3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione

C21H22N2O3 — CID 43000639

IUPAC3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCCCO1
InChIInChI=1S/C21H22N2O3/c24-19-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)22-20(25)23(19)15-18-13-7-8-14-26-18/h1-6,9-12,18H,7-8,13-15H2,(H,22,25)
InChIKeyAUNMRLSXBPFWSB-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.05
Rot. Bonds4

About 3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione

3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 43000639) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
PubChem CID43000639
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCCCO1
InChIInChI=1S/C21H22N2O3/c24-19-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)22-20(25)23(19)15-18-13-7-8-14-26-18/h1-6,9-12,18H,7-8,13-15H2,(H,22,25)
InChIKeyAUNMRLSXBPFWSB-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione (CID 43000639) is 3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is AUNMRLSXBPFWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-19-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)22-20(25)23(19)15-18-13-7-8-14-26-18/h1-6,9-12,18H,7-8,13-15H2,(H,22,25).
What are the key properties of 3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione?
3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 43000639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).