3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione

C26H24N2O3 — CID 2093881

IUPAC3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)[C@@H](C)N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1C
InChIInChI=1S/C26H24N2O3/c1-17-14-15-20(16-18(17)2)23(29)19(3)28-24(30)26(27-25(28)31,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,19H,1-3H3,(H,27,31)/t19-/m1/s1
InChIKeyOCEKSMCYORKEBF-LJQANCHMSA-N
MW412.49 g/mol
LogP4.37
Rot. Bonds5

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

3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 2093881) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID2093881
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)[C@@H](C)N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1C
InChIInChI=1S/C26H24N2O3/c1-17-14-15-20(16-18(17)2)23(29)19(3)28-24(30)26(27-25(28)31,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,19H,1-3H3,(H,27,31)/t19-/m1/s1
InChIKeyOCEKSMCYORKEBF-LJQANCHMSA-N
XLogP4.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.37
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

(5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2527796
3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2493473
3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2161847
(5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 2528049
(5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2461066
(2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide
CID 2104262
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 5033409
(5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2481092
(5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 41251117
1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate
CID 54332150
(5R)-5-(3,4-dimethylphenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8677282
3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3630449

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione (CID 2093881) is 3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione is Cc1ccc(C(=O)[C@@H](C)N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1C.
What is the InChIKey of 3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is OCEKSMCYORKEBF-LJQANCHMSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17-14-15-20(16-18(17)2)23(29)19(3)28-24(30)26(27-25(28)31,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,19H,1-3H3,(H,27,31)/t19-/m1/s1.
What are the key properties of 3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione?
3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 412.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 2093881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).