(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

C23H26N2O5 — CID 8506852

IUPAC(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CC[C@]2(C)NC(=O)N(Cc3cc(C(C)=O)ccc3OC)C2=O)cc1
InChIInChI=1S/C23H26N2O5/c1-15(26)17-7-10-20(30-4)18(13-17)14-25-21(27)23(2,24-22(25)28)12-11-16-5-8-19(29-3)9-6-16/h5-10,13H,11-12,14H2,1-4H3,(H,24,28)/t23-/m0/s1
InChIKeyGLGOYVIDJHYTRS-QHCPKHFHSA-N
MW410.47 g/mol
LogP3.35
Rot. Bonds8

About (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 8506852) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID8506852
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CC[C@]2(C)NC(=O)N(Cc3cc(C(C)=O)ccc3OC)C2=O)cc1
InChIInChI=1S/C23H26N2O5/c1-15(26)17-7-10-20(30-4)18(13-17)14-25-21(27)23(2,24-22(25)28)12-11-16-5-8-19(29-3)9-6-16/h5-10,13H,11-12,14H2,1-4H3,(H,24,28)/t23-/m0/s1
InChIKeyGLGOYVIDJHYTRS-QHCPKHFHSA-N
XLogP3.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 8507004
(5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 40891442
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8507081
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2128781
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 8507246
3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
CID 51106612
2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 55403273
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 8507218
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4034522
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 42915922
3-[[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 55857736
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione (CID 8506852) is (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione is COc1ccc(CC[C@]2(C)NC(=O)N(Cc3cc(C(C)=O)ccc3OC)C2=O)cc1.
What is the InChIKey of (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GLGOYVIDJHYTRS-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-15(26)17-7-10-20(30-4)18(13-17)14-25-21(27)23(2,24-22(25)28)12-11-16-5-8-19(29-3)9-6-16/h5-10,13H,11-12,14H2,1-4H3,(H,24,28)/t23-/m0/s1.
What are the key properties of (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 410.47 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 8506852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).