Nimorazole

C₉H₁₄N₄O₃ — CID 23009

About Nimorazole

Nimorazole (PubChem CID 23009) has the molecular formula C₉H₁₄N₄O₃ and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine.

Molecular Properties

• Compound Name: Nimorazole
• PubChem CID: 23009
• Molecular Formula: C₉H₁₄N₄O₃
• Molecular Weight: 226.24 g/mol
• Exact Mass: 226.11
• IUPAC Name: 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine
• SMILES: O=[N+]([O-])c1cncn1CCN1CCOCC1
• InChI: InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2
• InChIKey: MDJFHRLTPRPZLY-UHFFFAOYSA-N
• XLogP: 0.12
• TPSA: 73.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.24
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Nimorazole?

The IUPAC name of Nimorazole (CID 23009) is 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine.

What is the SMILES notation for Nimorazole?

The canonical SMILES for Nimorazole is O=[N+]([O-])c1cncn1CCN1CCOCC1.

What is the InChIKey of Nimorazole?

The InChIKey is MDJFHRLTPRPZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2.

What are the key properties of Nimorazole?

Nimorazole has a molecular weight of 226.24 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Nimorazole is sourced from PubChem (CID 23009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23009 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1938 — approved-drug record (CC BY-SA 4.0)

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