Medazepam

C₁₆H₁₅ClN₂ — CID 4041

About Medazepam

Medazepam (PubChem CID 4041) has the molecular formula C₁₆H₁₅ClN₂ and a molecular weight of 270.76 g/mol. Its IUPAC name is 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine.

Molecular Properties

• Compound Name: Medazepam
• PubChem CID: 4041
• Molecular Formula: C₁₆H₁₅ClN₂
• Molecular Weight: 270.76 g/mol
• Exact Mass: 270.09
• IUPAC Name: 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine
• SMILES: CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21
• InChI: InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
• InChIKey: YLCXGBZIZBEVPZ-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.76
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Medazepam?

The IUPAC name of Medazepam (CID 4041) is 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine.

What is the SMILES notation for Medazepam?

The canonical SMILES for Medazepam is CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21.

What is the InChIKey of Medazepam?

The InChIKey is YLCXGBZIZBEVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3.

What are the key properties of Medazepam?

Medazepam has a molecular weight of 270.76 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Medazepam is sourced from PubChem (CID 4041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4041 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1654 — approved-drug record (CC BY-SA 4.0)

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