3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione

C17H21ClN2O3 — CID 29156188

IUPAC3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H21ClN2O3/c1-3-9-17(10-4-2)15(22)20(16(23)19-17)11-14(21)12-5-7-13(18)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,19,23)
InChIKeyVBEPQFJMISFHPU-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.41
Rot. Bonds7

About 3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione

3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione (PubChem CID 29156188) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
PubChem CID29156188
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H21ClN2O3/c1-3-9-17(10-4-2)15(22)20(16(23)19-17)11-14(21)12-5-7-13(18)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,19,23)
InChIKeyVBEPQFJMISFHPU-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.41
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-(4-chlorophenyl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 60623068
N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide
CID 7594741
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 47094363
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2711199
3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 2579840
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46638452
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617439
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9485844
N-[4-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 4814138
(5R)-5-(2-bromophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2711217
phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8765116

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione (CID 29156188) is 3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione is CCCC1(CCC)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione?
The InChIKey is VBEPQFJMISFHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-3-9-17(10-4-2)15(22)20(16(23)19-17)11-14(21)12-5-7-13(18)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,19,23).
What are the key properties of 3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione?
3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione has a molecular weight of 336.82 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione is sourced from PubChem (CID 29156188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).