3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione

C16H20N2O3 — CID 18725118

IUPAC3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione
SMILESCC(C)(C)C(=O)CN1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O3/c1-16(2,3)13(19)10-17-11-14(20)18(15(17)21)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyNXVOJFIHMJELHS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.07
Rot. Bonds4

About 3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione

3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione (PubChem CID 18725118) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione
PubChem CID18725118
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione
SMILESCC(C)(C)C(=O)CN1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O3/c1-16(2,3)13(19)10-17-11-14(20)18(15(17)21)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyNXVOJFIHMJELHS-UHFFFAOYSA-N
XLogP2.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid
CID 70097452
ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate
CID 70099670
3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione
CID 142249740
3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 103935477
3-benzyl-1-cyclopropylimidazolidine-2,4-dione
CID 87022344
1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione
CID 68636226
1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione
CID 79942486
1-benzyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid
CID 23008694
2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide
CID 4855556
(3E)-1-acetyl-4-benzyl-3-(2-methylpropylidene)piperazine-2,5-dione
CID 15914220
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
3-(3-benzyl-2,4-dioxoimidazolidin-1-yl)-3-thiophen-2-ylpropanamide
CID 68593242

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione (CID 18725118) is 3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione is CC(C)(C)C(=O)CN1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione?
The InChIKey is NXVOJFIHMJELHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2,3)13(19)10-17-11-14(20)18(15(17)21)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of 3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione?
3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 18725118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).