Clofazimine

C₂₇H₂₂Cl₂N₄ — CID 2794

About Clofazimine

Clofazimine (PubChem CID 2794) has the molecular formula C₂₇H₂₂Cl₂N₄ and a molecular weight of 473.41 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine.

Molecular Properties

• Compound Name: Clofazimine
• PubChem CID: 2794
• Molecular Formula: C₂₇H₂₂Cl₂N₄
• Molecular Weight: 473.41 g/mol
• Exact Mass: 472.12
• IUPAC Name: N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine
• SMILES: CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
• InChI: InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+
• InChIKey: WDQPAMHFFCXSNU-BGABXYSRSA-N
• XLogP: 7.49
• TPSA: 42.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.41
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Clofazimine?

The IUPAC name of Clofazimine (CID 2794) is N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine.

What is the SMILES notation for Clofazimine?

The canonical SMILES for Clofazimine is CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1.

What is the InChIKey of Clofazimine?

The InChIKey is WDQPAMHFFCXSNU-BGABXYSRSA-N. The full InChI is InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+.

What are the key properties of Clofazimine?

Clofazimine has a molecular weight of 473.41 g/mol, XLogP of 7.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Clofazimine is sourced from PubChem (CID 2794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2794 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 692 — approved-drug record (CC BY-SA 4.0)

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