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

C20H19ClN2O3 — CID 2481092

IUPAC(5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc([C@@]2(C)NC(=O)N([C@@H](C)C(=O)c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C20H19ClN2O3/c1-12-7-9-15(10-8-12)20(3)18(25)23(19(26)22-20)13(2)17(24)14-5-4-6-16(21)11-14/h4-11,13H,1-3H3,(H,22,26)/t13-,20+/m0/s1
InChIKeyFYEYOOFUSRPJTI-RNODOKPDSA-N
MW370.84 g/mol
LogP3.69
Rot. Bonds4

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

(5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 2481092) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is (5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID2481092
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name(5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc([C@@]2(C)NC(=O)N([C@@H](C)C(=O)c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C20H19ClN2O3/c1-12-7-9-15(10-8-12)20(3)18(25)23(19(26)22-20)13(2)17(24)14-5-4-6-16(21)11-14/h4-11,13H,1-3H3,(H,22,26)/t13-,20+/m0/s1
InChIKeyFYEYOOFUSRPJTI-RNODOKPDSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.69
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

(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
3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3630449
(5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2527796
(2R)-N-hydroxy-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 54441297
(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
(2S)-N-(3-chlorophenyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 7916821
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 43001987
3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2093881
1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one
CID 62349880
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7179083

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 2481092) is (5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc([C@@]2(C)NC(=O)N([C@@H](C)C(=O)c3cccc(Cl)c3)C2=O)cc1.
What is the InChIKey of (5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is FYEYOOFUSRPJTI-RNODOKPDSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12-7-9-15(10-8-12)20(3)18(25)23(19(26)22-20)13(2)17(24)14-5-4-6-16(21)11-14/h4-11,13H,1-3H3,(H,22,26)/t13-,20+/m0/s1.
What are the key properties of (5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
(5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 370.84 g/mol, XLogP of 3.69, 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-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2481092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).