5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione

C23H18N2O3 — CID 15420725

IUPAC5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C23H18N2O3/c26-21-20(16-17-10-4-1-5-11-17)22(27)25(19-14-8-3-9-15-19)23(28)24(21)18-12-6-2-7-13-18/h1-15,20H,16H2
InChIKeyLSSPOECIMGNPPD-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.05
Rot. Bonds4

About 5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione

5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione (PubChem CID 15420725) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
PubChem CID15420725
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C23H18N2O3/c26-21-20(16-17-10-4-1-5-11-17)22(27)25(19-14-8-3-9-15-19)23(28)24(21)18-12-6-2-7-13-18/h1-15,20H,16H2
InChIKeyLSSPOECIMGNPPD-UHFFFAOYSA-N
XLogP4.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione (CID 15420725) is 5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione is O=C1C(Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is LSSPOECIMGNPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-21-20(16-17-10-4-1-5-11-17)22(27)25(19-14-8-3-9-15-19)23(28)24(21)18-12-6-2-7-13-18/h1-15,20H,16H2.
What are the key properties of 5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 370.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 15420725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).