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

C26H22BrCl5N2O2 — CID 173455536

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

2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-chlorophenyl)ethanone;hydrobromide (PubChem CID 173455536) has the molecular formula C26H22BrCl5N2O2 and a molecular weight of 651.64 g/mol. Its IUPAC name is 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-chlorophenyl)ethanone;hydrobromide.

Molecular Properties

• Compound Name: 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-chlorophenyl)ethanone;hydrobromide
• PubChem CID: 173455536
• Molecular Formula: C26H22BrCl5N2O2
• Molecular Weight: 651.64 g/mol
• Exact Mass: 647.93
• IUPAC Name: 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-chlorophenyl)ethanone;hydrobromide
• SMILES: Br.O=C(CN1C=CN(C(Cl)C(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1
• InChI: InChI=1S/C26H21Cl5N2O2.BrH/c27-20-6-1-17(2-7-20)24(34)14-32-11-12-33(16-32)26(31)25(18-3-8-21(28)9-4-18)35-15-19-5-10-22(29)13-23(19)30;/h1-13,25-26H,14-16H2;1H
• InChIKey: PZVBFLYEKQIWFV-UHFFFAOYSA-N
• XLogP: 8.63
• TPSA: 32.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.64
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-chlorophenyl)ethanone;hydrobromide (CID 173455536) is 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-chlorophenyl)ethanone;hydrobromide.

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

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

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

The InChIKey is PZVBFLYEKQIWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl5N2O2.BrH/c27-20-6-1-17(2-7-20)24(34)14-32-11-12-33(16-32)26(31)25(18-3-8-21(28)9-4-18)35-15-19-5-10-22(29)13-23(19)30;/h1-13,25-26H,14-16H2;1H.

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

2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-chlorophenyl)ethanone;hydrobromide has a molecular weight of 651.64 g/mol, XLogP of 8.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-chlorophenyl)ethanone;hydrobromide is sourced from PubChem (CID 173455536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).