5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione

C26H26N2O4 — CID 17410774

IUPAC5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1cc(C)c(CN2C(=O)NC(Cc3ccccc3)(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C26H26N2O4/c1-18-14-22(31-2)23(32-3)15-20(18)17-28-24(29)26(27-25(28)30,21-12-8-5-9-13-21)16-19-10-6-4-7-11-19/h4-15H,16-17H2,1-3H3,(H,27,30)
InChIKeyJNIIMXSGFFGARU-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.20
Rot. Bonds7

About 5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione

5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 17410774) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID17410774
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1cc(C)c(CN2C(=O)NC(Cc3ccccc3)(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C26H26N2O4/c1-18-14-22(31-2)23(32-3)15-20(18)17-28-24(29)26(27-25(28)30,21-12-8-5-9-13-21)16-19-10-6-4-7-11-19/h4-15H,16-17H2,1-3H3,(H,27,30)
InChIKeyJNIIMXSGFFGARU-UHFFFAOYSA-N
XLogP4.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.20
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

(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
(4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
CID 9234216
(5R)-5-benzyl-3-[2-(2-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 7637564
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 42986255
(5S)-5-benzyl-3-[(2-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7637567
(5S)-5-benzyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 41305462
(5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41097205
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7179608
(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 29405208
5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 4301529
(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572162
4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile
CID 3936185

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione (CID 17410774) is 5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione is COc1cc(C)c(CN2C(=O)NC(Cc3ccccc3)(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of 5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is JNIIMXSGFFGARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-18-14-22(31-2)23(32-3)15-20(18)17-28-24(29)26(27-25(28)30,21-12-8-5-9-13-21)16-19-10-6-4-7-11-19/h4-15H,16-17H2,1-3H3,(H,27,30).
What are the key properties of 5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione?
5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 430.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 17410774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).