(5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

C27H25N3O3 — CID 41253032

IUPAC(5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)N1CCc2ccccc2C1
InChIInChI=1S/C27H25N3O3/c31-24(29-16-15-21-11-7-8-12-22(21)18-29)19-30-25(32)27(28-26(30)33,23-13-5-2-6-14-23)17-20-9-3-1-4-10-20/h1-14H,15-19H2,(H,28,33)/t27-/m0/s1
InChIKeyQLXWFNIODAINLZ-MHZLTWQESA-N
MW439.51 g/mol
LogP3.26
Rot. Bonds5

About (5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

(5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 41253032) has the molecular formula C27H25N3O3 and a molecular weight of 439.51 g/mol. Its IUPAC name is (5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID41253032
Molecular FormulaC27H25N3O3
Molecular Weight439.51 g/mol
Exact Mass439.19
IUPAC Name(5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)N1CCc2ccccc2C1
InChIInChI=1S/C27H25N3O3/c31-24(29-16-15-21-11-7-8-12-22(21)18-29)19-30-25(32)27(28-26(30)33,23-13-5-2-6-14-23)17-20-9-3-1-4-10-20/h1-14H,15-19H2,(H,28,33)/t27-/m0/s1
InChIKeyQLXWFNIODAINLZ-MHZLTWQESA-N
XLogP3.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.26
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)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 2705375
(5R)-5-benzyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2099184
(5R)-5-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7240320
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4876009
(5S)-5-benzyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7300130
(5R)-5-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7300133
(5S)-5-benzyl-3-phenacyl-5-phenylimidazolidine-2,4-dione
CID 7300137
(5R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2581931
(5S)-5-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 25354436
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2705330
(5S)-5-(2-bromophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2099390
3'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 4879273

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (CID 41253032) is (5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)N1CCc2ccccc2C1.
What is the InChIKey of (5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is QLXWFNIODAINLZ-MHZLTWQESA-N. The full InChI is InChI=1S/C27H25N3O3/c31-24(29-16-15-21-11-7-8-12-22(21)18-29)19-30-25(32)27(28-26(30)33,23-13-5-2-6-14-23)17-20-9-3-1-4-10-20/h1-14H,15-19H2,(H,28,33)/t27-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
(5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 439.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 41253032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).