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

C20H20N2O3 — CID 2528049

IUPAC(5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)[C@H](C)N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-13-9-11-15(12-10-13)17(23)14(2)22-18(24)20(3,21-19(22)25)16-7-5-4-6-8-16/h4-12,14H,1-3H3,(H,21,25)/t14-,20-/m0/s1
InChIKeyYLQQKBCYVWKSGF-XOBRGWDASA-N
MW336.39 g/mol
LogP3.03
Rot. Bonds4

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

(5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione (PubChem CID 2528049) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione
PubChem CID2528049
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)[C@H](C)N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-13-9-11-15(12-10-13)17(23)14(2)22-18(24)20(3,21-19(22)25)16-7-5-4-6-8-16/h4-12,14H,1-3H3,(H,21,25)/t14-,20-/m0/s1
InChIKeyYLQQKBCYVWKSGF-XOBRGWDASA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.03
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-[(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
3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2493473
(5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2481092
(2R)-N-hydroxy-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 54441297
(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 7916777
3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2093881
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2161847
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710699
5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 60583030
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione (CID 2528049) is (5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione is Cc1ccc(C(=O)[C@H](C)N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1.
What is the InChIKey of (5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is YLQQKBCYVWKSGF-XOBRGWDASA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-9-11-15(12-10-13)17(23)14(2)22-18(24)20(3,21-19(22)25)16-7-5-4-6-8-16/h4-12,14H,1-3H3,(H,21,25)/t14-,20-/m0/s1.
What are the key properties of (5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione?
(5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 336.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2528049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).