2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide

C₂₄H₂₂ClN₅O — CID 155567190

About 2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide

2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide (PubChem CID 155567190) has the molecular formula C₂₄H₂₂ClN₅O and a molecular weight of 431.93 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide.

Molecular Properties

• Compound Name: 2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide
• PubChem CID: 155567190
• Molecular Formula: C₂₄H₂₂ClN₅O
• Molecular Weight: 431.93 g/mol
• Exact Mass: 431.15
• IUPAC Name: 2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide
• SMILES: [H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCc1ccccc1Cl
• InChI: InChI=1S/C24H22ClN5O/c25-20-9-5-4-8-17(20)15-31-22-12-18(10-11-19(22)24(26)27)28-14-23-29-13-21(30-23)16-6-2-1-3-7-16/h1-13,28H,14-15H2,(H3,26,27)(H,29,30)
• InChIKey: VMHTVHRYAOKDHZ-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 99.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.93
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide?

The IUPAC name of 2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide (CID 155567190) is 2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide.

What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide?

The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCc1ccccc1Cl.

What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide?

The InChIKey is VMHTVHRYAOKDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O/c25-20-9-5-4-8-17(20)15-31-22-12-18(10-11-19(22)24(26)27)28-14-23-29-13-21(30-23)16-6-2-1-3-7-16/h1-13,28H,14-15H2,(H3,26,27)(H,29,30).

What are the key properties of 2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide?

2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide has a molecular weight of 431.93 g/mol, XLogP of 5.21, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide is sourced from PubChem (CID 155567190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155567190 — identifiers, structure, computed properties (public domain)

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