4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole

C₁₉H₁₃Cl₂N₃ — CID 151060010

About 4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole

4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole (PubChem CID 151060010) has the molecular formula C₁₉H₁₃Cl₂N₃ and a molecular weight of 354.24 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole.

Molecular Properties

• Compound Name: 4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole
• PubChem CID: 151060010
• Molecular Formula: C₁₉H₁₃Cl₂N₃
• Molecular Weight: 354.24 g/mol
• Exact Mass: 353.05
• IUPAC Name: 4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole
• SMILES: Clc1cc(Cl)cc(-c2nc(-c3ccc[nH]3)[nH]c2-c2ccccc2)c1
• InChI: InChI=1S/C19H13Cl2N3/c20-14-9-13(10-15(21)11-14)18-17(12-5-2-1-3-6-12)23-19(24-18)16-7-4-8-22-16/h1-11,22H,(H,23,24)
• InChIKey: MFYUVIRPMFCFMH-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 44.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.24
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole?

The IUPAC name of 4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole (CID 151060010) is 4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole.

What is the SMILES notation for 4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole?

The canonical SMILES for 4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole is Clc1cc(Cl)cc(-c2nc(-c3ccc[nH]3)[nH]c2-c2ccccc2)c1.

What is the InChIKey of 4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole?

The InChIKey is MFYUVIRPMFCFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3/c20-14-9-13(10-15(21)11-14)18-17(12-5-2-1-3-6-12)23-19(24-18)16-7-4-8-22-16/h1-11,22H,(H,23,24).

What are the key properties of 4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole?

4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole has a molecular weight of 354.24 g/mol, XLogP of 6.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole is sourced from PubChem (CID 151060010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151060010 — identifiers, structure, computed properties (public domain)

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