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

C21H22N2O3 — CID 2527796

IUPAC(5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)[C@H](C)N2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1C
InChIInChI=1S/C21H22N2O3/c1-13-10-11-16(12-14(13)2)18(24)15(3)23-19(25)21(4,22-20(23)26)17-8-6-5-7-9-17/h5-12,15H,1-4H3,(H,22,26)/t15-,21+/m0/s1
InChIKeyMFOBNFIEXFWOFQ-YCRPNKLZSA-N
MW350.42 g/mol
LogP3.34
Rot. Bonds4

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

(5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 2527796) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID2527796
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)[C@H](C)N2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1C
InChIInChI=1S/C21H22N2O3/c1-13-10-11-16(12-14(13)2)18(24)15(3)23-19(25)21(4,22-20(23)26)17-8-6-5-7-9-17/h5-12,15H,1-4H3,(H,22,26)/t15-,21+/m0/s1
InChIKeyMFOBNFIEXFWOFQ-YCRPNKLZSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.34
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
(5R)-3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2461066
3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2493473
(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 7916777
(2R)-N-hydroxy-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 54441297
(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 25347097
2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 29318902
(5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione
CID 7916791
3-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-7-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50804644
1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propan-1-one
CID 55163489
3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4277145

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 2527796) is (5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione is Cc1ccc(C(=O)[C@H](C)N2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1C.
What is the InChIKey of (5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is MFOBNFIEXFWOFQ-YCRPNKLZSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-10-11-16(12-14(13)2)18(24)15(3)23-19(25)21(4,22-20(23)26)17-8-6-5-7-9-17/h5-12,15H,1-4H3,(H,22,26)/t15-,21+/m0/s1.
What are the key properties of (5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2527796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).