Imipramine

C₁₉H₂₄N₂ — CID 3696

About Imipramine

Imipramine (PubChem CID 3696) has the molecular formula C₁₉H₂₄N₂ and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: Imipramine
• PubChem CID: 3696
• Molecular Formula: C₁₉H₂₄N₂
• Molecular Weight: 280.42 g/mol
• Exact Mass: 280.19
• IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
• SMILES: CN(C)CCCN1c2ccccc2CCc2ccccc21
• InChI: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
• InChIKey: BCGWQEUPMDMJNV-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.42
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Imipramine?

The IUPAC name of Imipramine (CID 3696) is 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine.

What is the SMILES notation for Imipramine?

The canonical SMILES for Imipramine is CN(C)CCCN1c2ccccc2CCc2ccccc21.

What is the InChIKey of Imipramine?

The InChIKey is BCGWQEUPMDMJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3.

What are the key properties of Imipramine?

Imipramine has a molecular weight of 280.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Imipramine is sourced from PubChem (CID 3696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3696 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1427 — approved-drug record (CC BY-SA 4.0)

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