2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone

C26H22Cl3IN2O2 — CID 21443234

About 2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone

2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone (PubChem CID 21443234) has the molecular formula C26H22Cl3IN2O2 and a molecular weight of 627.74 g/mol. Its IUPAC name is 2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone.

Molecular Properties

• Compound Name: 2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone
• PubChem CID: 21443234
• Molecular Formula: C26H22Cl3IN2O2
• Molecular Weight: 627.74 g/mol
• Exact Mass: 625.98
• IUPAC Name: 2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone
• SMILES: O=C(CN1C=CN(CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1)c1ccc(I)cc1
• InChI: InChI=1S/C26H22Cl3IN2O2/c27-21-6-1-19(2-7-21)26(34-16-20-3-8-22(28)13-24(20)29)15-32-12-11-31(17-32)14-25(33)18-4-9-23(30)10-5-18/h1-13,26H,14-17H2
• InChIKey: GPJHSEUPBZQWEE-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 32.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.74
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone?

The IUPAC name of 2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone (CID 21443234) is 2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone.

What is the SMILES notation for 2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone?

The canonical SMILES for 2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone is O=C(CN1C=CN(CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1)c1ccc(I)cc1.

What is the InChIKey of 2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone?

The InChIKey is GPJHSEUPBZQWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl3IN2O2/c27-21-6-1-19(2-7-21)26(34-16-20-3-8-22(28)13-24(20)29)15-32-12-11-31(17-32)14-25(33)18-4-9-23(30)10-5-18/h1-13,26H,14-17H2.

What are the key properties of 2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone?

2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone has a molecular weight of 627.74 g/mol, XLogP of 7.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 21443234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).