(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione

C20H20N2O4 — CID 7566809

IUPAC(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
SMILESCOc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O4/c1-20(12-15-10-6-7-11-17(15)26-2)18(24)22(19(25)21-20)13-16(23)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,21,25)/t20-/m0/s1
InChIKeyXHWAEVZBTXWOFN-FQEVSTJZSA-N
MW352.39 g/mol
LogP2.43
Rot. Bonds6

About (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione

(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione (PubChem CID 7566809) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
PubChem CID7566809
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
SMILESCOc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O4/c1-20(12-15-10-6-7-11-17(15)26-2)18(24)22(19(25)21-20)13-16(23)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,21,25)/t20-/m0/s1
InChIKeyXHWAEVZBTXWOFN-FQEVSTJZSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.43
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-(4-fluorophenyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7566272
(5S)-5-[(2-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7566086
(5R)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7565766
N-tert-butyl-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565842
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 7565917
(5R)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7565739
N-(2,6-diethylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566562
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7565321
(5S)-3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7565866
methyl 4-[[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 7566179
methyl 4-[[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 7566172
2-[[2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8581604

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione (CID 7566809) is (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione is COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione?
The InChIKey is XHWAEVZBTXWOFN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-20(12-15-10-6-7-11-17(15)26-2)18(24)22(19(25)21-20)13-16(23)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,21,25)/t20-/m0/s1.
What are the key properties of (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione?
(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione has a molecular weight of 352.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione is sourced from PubChem (CID 7566809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).