5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

C24H20N2O3 — CID 18552523

IUPAC5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1ccccc1N1C(=O)NC(=O)C(C(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C24H20N2O3/c1-16-10-8-9-15-19(16)26-23(28)21(22(27)25-24(26)29)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,20-21H,1H3,(H,25,27,29)
InChIKeyDNPUMLAWJVRBIN-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.03
Rot. Bonds4

About 5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 18552523) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID18552523
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1ccccc1N1C(=O)NC(=O)C(C(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C24H20N2O3/c1-16-10-8-9-15-19(16)26-23(28)21(22(27)25-24(26)29)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,20-21H,1H3,(H,25,27,29)
InChIKeyDNPUMLAWJVRBIN-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
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-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione (CID 18552523) is 5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione is Cc1ccccc1N1C(=O)NC(=O)C(C(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of 5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is DNPUMLAWJVRBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16-10-8-9-15-19(16)26-23(28)21(22(27)25-24(26)29)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,20-21H,1H3,(H,25,27,29).
What are the key properties of 5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 384.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 18552523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).