(5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

C21H21ClN2O4 — CID 2633572

IUPAC(5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H21ClN2O4/c1-4-28-18-10-5-14(13(2)25)11-15(18)12-24-19(26)21(3,23-20(24)27)16-6-8-17(22)9-7-16/h5-11H,4,12H2,1-3H3,(H,23,27)/t21-/m1/s1
InChIKeyCHKIPGACJFRCSJ-OAQYLSRUSA-N
MW400.86 g/mol
LogP3.91
Rot. Bonds6

About (5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

(5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 2633572) has the molecular formula C21H21ClN2O4 and a molecular weight of 400.86 g/mol. Its IUPAC name is (5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID2633572
Molecular FormulaC21H21ClN2O4
Molecular Weight400.86 g/mol
Exact Mass400.12
IUPAC Name(5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H21ClN2O4/c1-4-28-18-10-5-14(13(2)25)11-15(18)12-24-19(26)21(3,23-20(24)27)16-6-8-17(22)9-7-16/h5-11H,4,12H2,1-3H3,(H,23,27)/t21-/m1/s1
InChIKeyCHKIPGACJFRCSJ-OAQYLSRUSA-N
XLogP3.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2128781
(5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7043517
(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7801344
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51951367
3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2998699
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4034522
1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone
CID 60627754
(5S)-5-(4-chlorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2577203
3-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 17458173
5-(4-chlorophenyl)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42897860
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 2097186

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione (CID 2633572) is (5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione is CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is CHKIPGACJFRCSJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21ClN2O4/c1-4-28-18-10-5-14(13(2)25)11-15(18)12-24-19(26)21(3,23-20(24)27)16-6-8-17(22)9-7-16/h5-11H,4,12H2,1-3H3,(H,23,27)/t21-/m1/s1.
What are the key properties of (5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 400.86 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2633572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).