(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione

C21H24N2O4 — CID 8506760

IUPAC(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
SMILESCOc1ccc(CC[C@]2(C)NC(=O)N(CCOc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-21(13-12-16-8-10-17(26-2)11-9-16)19(24)23(20(25)22-21)14-15-27-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,22,25)/t21-/m0/s1
InChIKeyKIFMTFFQWQCTBG-NRFANRHFSA-N
MW368.43 g/mol
LogP3.02
Rot. Bonds8

About (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione

(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione (PubChem CID 8506760) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
PubChem CID8506760
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
SMILESCOc1ccc(CC[C@]2(C)NC(=O)N(CCOc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-21(13-12-16-8-10-17(26-2)11-9-16)19(24)23(20(25)22-21)14-15-27-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,22,25)/t21-/m0/s1
InChIKeyKIFMTFFQWQCTBG-NRFANRHFSA-N
XLogP3.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-(2-ethoxyethyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8608588
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8608603
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 60602090
benzyl-[[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-methylazanium
CID 9169331
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 8507246
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 8507004
N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 8507184
(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170722
3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 18204838
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8507248

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione (CID 8506760) is (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione is COc1ccc(CC[C@]2(C)NC(=O)N(CCOc3ccccc3)C2=O)cc1.
What is the InChIKey of (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
The InChIKey is KIFMTFFQWQCTBG-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(13-12-16-8-10-17(26-2)11-9-16)19(24)23(20(25)22-21)14-15-27-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,22,25)/t21-/m0/s1.
What are the key properties of (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione has a molecular weight of 368.43 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 8506760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).