(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione

C25H22N2O3 — CID 40820459

IUPAC(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc3ccccc23)C1=O
InChIInChI=1S/C25H22N2O3/c1-25(19-13-12-16-7-4-9-18(16)14-19)23(29)27(24(30)26-25)15-22(28)21-11-5-8-17-6-2-3-10-20(17)21/h2-3,5-6,8,10-14H,4,7,9,15H2,1H3,(H,26,30)/t25-/m0/s1
InChIKeyMMDDMVPEICNBSJ-VWLOTQADSA-N
MW398.46 g/mol
LogP3.98
Rot. Bonds4

About (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione

(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione (PubChem CID 40820459) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione
PubChem CID40820459
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc3ccccc23)C1=O
InChIInChI=1S/C25H22N2O3/c1-25(19-13-12-16-7-4-9-18(16)14-19)23(29)27(24(30)26-25)15-22(28)21-11-5-8-17-6-2-3-10-20(17)21/h2-3,5-6,8,10-14H,4,7,9,15H2,1H3,(H,26,30)/t25-/m0/s1
InChIKeyMMDDMVPEICNBSJ-VWLOTQADSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.98
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

5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 78764209
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 17411442
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7883938
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 8011147
N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 18085542
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7883965
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7883923
(5R)-5-(3,4-difluorophenyl)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 27145082
N-[4-[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]-2-methylpropanamide
CID 42918429
2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7883887
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 9453120
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41195748

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione (CID 40820459) is (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione is C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc3ccccc23)C1=O.
What is the InChIKey of (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione?
The InChIKey is MMDDMVPEICNBSJ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-25(19-13-12-16-7-4-9-18(16)14-19)23(29)27(24(30)26-25)15-22(28)21-11-5-8-17-6-2-3-10-20(17)21/h2-3,5-6,8,10-14H,4,7,9,15H2,1H3,(H,26,30)/t25-/m0/s1.
What are the key properties of (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione?
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione has a molecular weight of 398.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 40820459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).