(5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C24H27N3O3 — CID 2083997

IUPAC(5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C24H27N3O3/c1-23(2,3)17-9-11-18(12-10-17)24(4)21(29)27(22(30)25-24)15-20(28)26-14-13-16-7-5-6-8-19(16)26/h5-12H,13-15H2,1-4H3,(H,25,30)/t24-/m0/s1
InChIKeySIXONSIBGXTMKY-DEOSSOPVSA-N
MW405.50 g/mol
LogP3.34
Rot. Bonds3

About (5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 2083997) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID2083997
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C24H27N3O3/c1-23(2,3)17-9-11-18(12-10-17)24(4)21(29)27(22(30)25-24)15-20(28)26-14-13-16-7-5-6-8-19(16)26/h5-12H,13-15H2,1-4H3,(H,25,30)/t24-/m0/s1
InChIKeySIXONSIBGXTMKY-DEOSSOPVSA-N
XLogP3.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595801
(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2126300
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 112788597
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51951396
(5S)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51951395
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710989
(5R)-5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2083343
5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 4884885
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709054
5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 51166924
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51138877
(5S)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320331

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 2083997) is (5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1.
What is the InChIKey of (5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is SIXONSIBGXTMKY-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-23(2,3)17-9-11-18(12-10-17)24(4)21(29)27(22(30)25-24)15-20(28)26-14-13-16-7-5-6-8-19(16)26/h5-12H,13-15H2,1-4H3,(H,25,30)/t24-/m0/s1.
What are the key properties of (5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 405.50 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2083997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).