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

C24H27N3O3 — CID 2705375

IUPAC(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)N1CCCCCC1
InChIInChI=1S/C24H27N3O3/c28-21(26-15-9-1-2-10-16-26)18-27-22(29)24(25-23(27)30,20-13-7-4-8-14-20)17-19-11-5-3-6-12-19/h3-8,11-14H,1-2,9-10,15-18H2,(H,25,30)/t24-/m0/s1
InChIKeyMMUSVYIQHDVVHG-DEOSSOPVSA-N
MW405.50 g/mol
LogP3.08
Rot. Bonds5

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

(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione (PubChem CID 2705375) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
PubChem CID2705375
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)N1CCCCCC1
InChIInChI=1S/C24H27N3O3/c28-21(26-15-9-1-2-10-16-26)18-27-22(29)24(25-23(27)30,20-13-7-4-8-14-20)17-19-11-5-3-6-12-19/h3-8,11-14H,1-2,9-10,15-18H2,(H,25,30)/t24-/m0/s1
InChIKeyMMUSVYIQHDVVHG-DEOSSOPVSA-N
XLogP3.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
(5S)-5-benzyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7300130
(5R)-5-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7240320
(5S)-5-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41253032
(5R)-5-benzyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2099184
(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-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 25354436
(5S)-5-benzyl-3-phenacyl-5-phenylimidazolidine-2,4-dione
CID 7300137
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-cyclohexylacetamide
CID 40617195
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
(5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 7263656
(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 7264837

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione (CID 2705375) is (5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione is O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)N1CCCCCC1.
What is the InChIKey of (5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is MMUSVYIQHDVVHG-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-21(26-15-9-1-2-10-16-26)18-27-22(29)24(25-23(27)30,20-13-7-4-8-14-20)17-19-11-5-3-6-12-19/h3-8,11-14H,1-2,9-10,15-18H2,(H,25,30)/t24-/m0/s1.
What are the key properties of (5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 405.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2705375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).