1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione

C19H16N2O4 — CID 2765715

IUPAC1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCc1ccc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H16N2O4/c1-13-7-9-15(10-8-13)16(22)12-21-18(24)17(23)20(19(21)25)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyQDQQZJLEGQAPLW-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.17
Rot. Bonds5

About 1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 2765715) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID2765715
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCc1ccc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H16N2O4/c1-13-7-9-15(10-8-13)16(22)12-21-18(24)17(23)20(19(21)25)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyQDQQZJLEGQAPLW-UHFFFAOYSA-N
XLogP2.17
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 2765715) is 1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione is Cc1ccc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is QDQQZJLEGQAPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-13-7-9-15(10-8-13)16(22)12-21-18(24)17(23)20(19(21)25)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 336.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 2765715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).