CID 46280

C13H14Cl2N4 — CID 46280

About CID 46280

CID 46280 (PubChem CID 46280) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.18 g/mol. Its IUPAC name is [3-(6-amino-1H-benzimidazol-3-ium-2-yl)phenyl]azanium dichloride.

Molecular Properties

• Compound Name: CID 46280
• PubChem CID: 46280
• Molecular Formula: C13H14Cl2N4
• Molecular Weight: 297.18 g/mol
• Exact Mass: 296.06
• IUPAC Name: [3-(6-amino-1H-benzimidazol-3-ium-2-yl)phenyl]azanium dichloride
• SMILES: C1=CC(=CC(=C1)[NH3+])C2=[NH+]C3=C(N2)C=C(C=C3)N.[Cl-].[Cl-]
• InChIKey: RAVWMFXCRJZCAH-UHFFFAOYSA-N
• XLogP: N/A
• TPSA: 83.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: 270

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}