3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione

C25H22N2O3 — CID 2493473

IUPAC3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)[C@H](C)N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H22N2O3/c1-17-13-15-19(16-14-17)22(28)18(2)27-23(29)25(26-24(27)30,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,1-2H3,(H,26,30)/t18-/m0/s1
InChIKeyLHVJCMHPUXQJDF-SFHVURJKSA-N
MW398.46 g/mol
LogP4.06
Rot. Bonds5

About 3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione

3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 2493473) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID2493473
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)[C@H](C)N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H22N2O3/c1-17-13-15-19(16-14-17)22(28)18(2)27-23(29)25(26-24(27)30,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,1-2H3,(H,26,30)/t18-/m0/s1
InChIKeyLHVJCMHPUXQJDF-SFHVURJKSA-N
XLogP4.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.06
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

3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2093881
(5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 2528049
3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2161847
(5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2461066
(5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2527796
(5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2481092
(3aR,7aR)-2-[(2R)-1-oxo-1-phenylpropan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124747126
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 5033409
3-[(4-methylphenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4810451
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate
CID 54332150
(2R)-N-hydroxy-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 54441297

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione (CID 2493473) is 3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione is Cc1ccc(C(=O)[C@H](C)N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is LHVJCMHPUXQJDF-SFHVURJKSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-17-13-15-19(16-14-17)22(28)18(2)27-23(29)25(26-24(27)30,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,1-2H3,(H,26,30)/t18-/m0/s1.
What are the key properties of 3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione?
3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 398.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 2493473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).