(5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione

C15H20N2O3 — CID 2704119

IUPAC(5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(CCOc2ccccc2)C1=O
InChIInChI=1S/C15H20N2O3/c1-11(2)10-13-14(18)17(15(19)16-13)8-9-20-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyBXFYNWAWDHQLRY-ZDUSSCGKSA-N
MW276.34 g/mol
LogP2.03
Rot. Bonds6

About (5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione

(5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione (PubChem CID 2704119) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
PubChem CID2704119
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(CCOc2ccccc2)C1=O
InChIInChI=1S/C15H20N2O3/c1-11(2)10-13-14(18)17(15(19)16-13)8-9-20-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyBXFYNWAWDHQLRY-ZDUSSCGKSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64878643
(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 52544059
4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 40812409
(5R)-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570355
(5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2604891
3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione
CID 84571229
(5S)-3-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570548
(5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570523
(5R)-3-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570526
3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one
CID 142133732
(5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 26201595
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2704316

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione (CID 2704119) is (5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione is CC(C)C[C@@H]1NC(=O)N(CCOc2ccccc2)C1=O.
What is the InChIKey of (5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
The InChIKey is BXFYNWAWDHQLRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(2)10-13-14(18)17(15(19)16-13)8-9-20-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
(5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione has a molecular weight of 276.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2704119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).