(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

C16H19ClN2O3 — CID 2711199

IUPAC(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@]1(C)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H19ClN2O3/c1-10(2)8-16(3)14(21)19(15(22)18-16)9-13(20)11-4-6-12(17)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,18,22)/t16-/m1/s1
InChIKeyAHURBZFNOGUGDE-MRXNPFEDSA-N
MW322.79 g/mol
LogP2.88
Rot. Bonds5

About (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 2711199) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID2711199
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@]1(C)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H19ClN2O3/c1-10(2)8-16(3)14(21)19(15(22)18-16)9-13(20)11-4-6-12(17)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,18,22)/t16-/m1/s1
InChIKeyAHURBZFNOGUGDE-MRXNPFEDSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.88
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
(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2438011
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 4810317
3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 29156188
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793739
(5R)-5-(2-bromophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2711217
5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 60623130
N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 84601226
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46638452
N-(2,5-difluorophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2583322
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9485844
N-(2,3-dichlorophenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4790490

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 2711199) is (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)C[C@@]1(C)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is AHURBZFNOGUGDE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-10(2)8-16(3)14(21)19(15(22)18-16)9-13(20)11-4-6-12(17)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,18,22)/t16-/m1/s1.
What are the key properties of (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 322.79 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2711199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).