1-benzhydryl-1,3-diazinane-2,4,6-trione

C17H14N2O3 — CID 6425302

IUPAC1-benzhydryl-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C(c2ccccc2)c2ccccc2)C(=O)N1
InChIInChI=1S/C17H14N2O3/c20-14-11-15(21)19(17(22)18-14)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,18,20,22)
InChIKeyJTGQVUBBMOQJIG-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.24
Rot. Bonds3

About 1-benzhydryl-1,3-diazinane-2,4,6-trione

1-benzhydryl-1,3-diazinane-2,4,6-trione (PubChem CID 6425302) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-benzhydryl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-benzhydryl-1,3-diazinane-2,4,6-trione
PubChem CID6425302
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-benzhydryl-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C(c2ccccc2)c2ccccc2)C(=O)N1
InChIInChI=1S/C17H14N2O3/c20-14-11-15(21)19(17(22)18-14)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,18,20,22)
InChIKeyJTGQVUBBMOQJIG-UHFFFAOYSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzhydryl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-benzhydryl-1,3-diazinane-2,4,6-trione (CID 6425302) is 1-benzhydryl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-benzhydryl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-benzhydryl-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(C(c2ccccc2)c2ccccc2)C(=O)N1.
What is the InChIKey of 1-benzhydryl-1,3-diazinane-2,4,6-trione?
The InChIKey is JTGQVUBBMOQJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-14-11-15(21)19(17(22)18-14)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,18,20,22).
What are the key properties of 1-benzhydryl-1,3-diazinane-2,4,6-trione?
1-benzhydryl-1,3-diazinane-2,4,6-trione has a molecular weight of 294.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6425302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).