5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

C21H27N3O3 — CID 87025737

IUPAC5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N2CCCC2CCc2ccccc2)C1=O
InChIInChI=1S/C21H27N3O3/c1-21(16-10-11-16)19(26)24(20(27)22-21)14-18(25)23-13-5-8-17(23)12-9-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,22,27)
InChIKeyFZGJHLHGOQTDRC-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.33
Rot. Bonds6

About 5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 87025737) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID87025737
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N2CCCC2CCc2ccccc2)C1=O
InChIInChI=1S/C21H27N3O3/c1-21(16-10-11-16)19(26)24(20(27)22-21)14-18(25)23-13-5-8-17(23)12-9-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,22,27)
InChIKeyFZGJHLHGOQTDRC-UHFFFAOYSA-N
XLogP2.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.33
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

5-cyclopropyl-5-methyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56809766
5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119649000
(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94616491
5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 56797913
N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 78790776
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
5-cyclobutyl-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 90358668
(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94117584
(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 41012964
3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580314
3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542027
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 119434841

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 87025737) is 5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is CC1(C2CC2)NC(=O)N(CC(=O)N2CCCC2CCc2ccccc2)C1=O.
What is the InChIKey of 5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is FZGJHLHGOQTDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-21(16-10-11-16)19(26)24(20(27)22-21)14-18(25)23-13-5-8-17(23)12-9-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,22,27).
What are the key properties of 5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 369.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 87025737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).