3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

C21H22N2O4 — CID 2998517

IUPAC3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)C(C)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C21H22N2O4/c1-13-5-8-18(9-6-13)23-14(2)20(25)22(21(23)26)12-17-11-16(15(3)24)7-10-19(17)27-4/h5-11,14H,12H2,1-4H3
InChIKeyRRXQGLXKKKTTQB-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.56
Rot. Bonds5

About 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 2998517) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID2998517
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)C(C)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C21H22N2O4/c1-13-5-8-18(9-6-13)23-14(2)20(25)22(21(23)26)12-17-11-16(15(3)24)7-10-19(17)27-4/h5-11,14H,12H2,1-4H3
InChIKeyRRXQGLXKKKTTQB-UHFFFAOYSA-N
XLogP3.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 2998517) is 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is COc1ccc(C(C)=O)cc1CN1C(=O)C(C)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is RRXQGLXKKKTTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-5-8-18(9-6-13)23-14(2)20(25)22(21(23)26)12-17-11-16(15(3)24)7-10-19(17)27-4/h5-11,14H,12H2,1-4H3.
What are the key properties of 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 366.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2998517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).