(5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C18H19N3O3 — CID 8892845

IUPAC(5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O
InChIInChI=1S/C18H19N3O3/c1-18(10-9-13-6-3-2-4-7-13)16(23)21(17(24)20-18)12-15(22)14-8-5-11-19-14/h2-8,11,19H,9-10,12H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyUEQBGTIFJGBNBB-SFHVURJKSA-N
MW325.37 g/mol
LogP2.14
Rot. Bonds6

About (5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

(5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 8892845) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID8892845
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O
InChIInChI=1S/C18H19N3O3/c1-18(10-9-13-6-3-2-4-7-13)16(23)21(17(24)20-18)12-15(22)14-8-5-11-19-14/h2-8,11,19H,9-10,12H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyUEQBGTIFJGBNBB-SFHVURJKSA-N
XLogP2.14
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170756
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 8507246
(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 41041203
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8507248
N-benzyl-N-ethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7171006
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7639797
(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 25485121
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 7242837

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 8892845) is (5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is UEQBGTIFJGBNBB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-18(10-9-13-6-3-2-4-7-13)16(23)21(17(24)20-18)12-15(22)14-8-5-11-19-14/h2-8,11,19H,9-10,12H2,1H3,(H,20,24)/t18-/m0/s1.
What are the key properties of (5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 325.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 8892845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).