Dibenzepin

C₁₈H₂₁N₃O — CID 9419

About Dibenzepin

Dibenzepin (PubChem CID 9419) has the molecular formula C₁₈H₂₁N₃O and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one.

Molecular Properties

• Compound Name: Dibenzepin
• PubChem CID: 9419
• Molecular Formula: C₁₈H₂₁N₃O
• Molecular Weight: 295.39 g/mol
• Exact Mass: 295.17
• IUPAC Name: 5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one
• SMILES: CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21
• InChI: InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
• InChIKey: QPGGEKPRGVJKQB-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 26.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.39
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Dibenzepin?

The IUPAC name of Dibenzepin (CID 9419) is 5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one.

What is the SMILES notation for Dibenzepin?

The canonical SMILES for Dibenzepin is CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21.

What is the InChIKey of Dibenzepin?

The InChIKey is QPGGEKPRGVJKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3.

What are the key properties of Dibenzepin?

Dibenzepin has a molecular weight of 295.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Dibenzepin is sourced from PubChem (CID 9419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 9419 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 856 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.