1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione

C21H20N2O4 — CID 7820037

IUPAC1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione
SMILESCC(C)c1ccc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H20N2O4/c1-14(2)16-8-10-17(11-9-16)18(24)13-23-20(26)19(25)22(21(23)27)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeyKELXCZKADPXYDX-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.98
Rot. Bonds6

About 1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione

1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione (PubChem CID 7820037) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione
PubChem CID7820037
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione
SMILESCC(C)c1ccc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H20N2O4/c1-14(2)16-8-10-17(11-9-16)18(24)13-23-20(26)19(25)22(21(23)27)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeyKELXCZKADPXYDX-UHFFFAOYSA-N
XLogP2.98
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[2-(4-butylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7820036
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 2540215
1-benzyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 31394302
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 7819698
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7820097
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7819948
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 7819706
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 9073243
2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43218705
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide
CID 7819743
1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 2574464
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione (CID 7820037) is 1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione is CC(C)c1ccc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is KELXCZKADPXYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14(2)16-8-10-17(11-9-16)18(24)13-23-20(26)19(25)22(21(23)27)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione?
1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 364.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7820037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).