(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione

C18H23N3O3 — CID 7171016

IUPAC(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C18H23N3O3/c1-18(10-9-14-7-3-2-4-8-14)16(23)21(17(24)19-18)13-15(22)20-11-5-6-12-20/h2-4,7-8H,5-6,9-13H2,1H3,(H,19,24)/t18-/m1/s1
InChIKeyQETLHMVLKNFZOD-GOSISDBHSA-N
MW329.40 g/mol
LogP1.55
Rot. Bonds5

About (5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione

(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 7171016) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID7171016
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C18H23N3O3/c1-18(10-9-14-7-3-2-4-8-14)16(23)21(17(24)19-18)13-15(22)20-11-5-6-12-20/h2-4,7-8H,5-6,9-13H2,1H3,(H,19,24)/t18-/m1/s1
InChIKeyQETLHMVLKNFZOD-GOSISDBHSA-N
XLogP1.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.55
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

(5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 40803564
(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 41012964
(5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 40798839
3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 18532620
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
(5R)-3-[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 31882390
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 8507059
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 8507058
(5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 8892845

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 7171016) is (5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione is C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCCC2)C1=O.
What is the InChIKey of (5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is QETLHMVLKNFZOD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(10-9-14-7-3-2-4-8-14)16(23)21(17(24)19-18)13-15(22)20-11-5-6-12-20/h2-4,7-8H,5-6,9-13H2,1H3,(H,19,24)/t18-/m1/s1.
What are the key properties of (5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7171016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).