Benzimidazole, 5-methoxy-2-nitro-

C8H7N3O3 — CID 24860

About Benzimidazole, 5-methoxy-2-nitro-

Benzimidazole, 5-methoxy-2-nitro- (PubChem CID 24860) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 6-methoxy-2-nitro-1H-benzimidazole.

Molecular Properties

• Compound Name: Benzimidazole, 5-methoxy-2-nitro-
• PubChem CID: 24860
• Molecular Formula: C8H7N3O3
• Molecular Weight: 193.16 g/mol
• Exact Mass: 193.05
• IUPAC Name: 6-methoxy-2-nitro-1H-benzimidazole
• SMILES: COC1=CC2=C(C=C1)N=C(N2)[N+](=O)[O-]
• InChIKey: OIFNPDLEMUEBIV-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 83.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: 230

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.16
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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