(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C21H19F3N2O4 — CID 51951367

IUPAC(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C21H19F3N2O4/c1-12(27)13-7-8-17(30-3)14(9-13)11-26-18(28)20(2,25-19(26)29)15-5-4-6-16(10-15)21(22,23)24/h4-10H,11H2,1-3H3,(H,25,29)/t20-/m1/s1
InChIKeyXHFUDPOZDGRIFA-HXUWFJFHSA-N
MW420.39 g/mol
LogP3.88
Rot. Bonds5

About (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 51951367) has the molecular formula C21H19F3N2O4 and a molecular weight of 420.39 g/mol. Its IUPAC name is (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID51951367
Molecular FormulaC21H19F3N2O4
Molecular Weight420.39 g/mol
Exact Mass420.13
IUPAC Name(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C21H19F3N2O4/c1-12(27)13-7-8-17(30-3)14(9-13)11-26-18(28)20(2,25-19(26)29)15-5-4-6-16(10-15)21(22,23)24/h4-10H,11H2,1-3H3,(H,25,29)/t20-/m1/s1
InChIKeyXHFUDPOZDGRIFA-HXUWFJFHSA-N
XLogP3.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.88
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
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4034522
(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7801344
3-(2-hydroxy-2-methylpropyl)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 110932550
methyl 2-[4-methoxy-3-[2-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 66892278
(5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2633572
3-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 167839820
3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
CID 51106612
N-(3,4-dimethylphenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484791
(3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 2466972
(4R)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706160
(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8506852

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 51951367) is (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is COc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is XHFUDPOZDGRIFA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19F3N2O4/c1-12(27)13-7-8-17(30-3)14(9-13)11-26-18(28)20(2,25-19(26)29)15-5-4-6-16(10-15)21(22,23)24/h4-10H,11H2,1-3H3,(H,25,29)/t20-/m1/s1.
What are the key properties of (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 420.39 g/mol, XLogP of 3.88, 5 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-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51951367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).