2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide

C28H27BrCl5N3O2 — CID 173455959

About 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide

2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide (PubChem CID 173455959) has the molecular formula C28H27BrCl5N3O2 and a molecular weight of 694.71 g/mol. Its IUPAC name is 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide.

Molecular Properties

• Compound Name: 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide
• PubChem CID: 173455959
• Molecular Formula: C28H27BrCl5N3O2
• Molecular Weight: 694.71 g/mol
• Exact Mass: 690.97
• IUPAC Name: 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide
• SMILES: Br.Cc1cccc(Cl)c1NC(=O)C(C)N1C=CN(C(Cl)C(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1
• InChI: InChI=1S/C28H26Cl5N3O2.BrH/c1-17-4-3-5-23(31)25(17)34-28(37)18(2)35-12-13-36(16-35)27(33)26(19-6-9-21(29)10-7-19)38-15-20-8-11-22(30)14-24(20)32;/h3-14,18,26-27H,15-16H2,1-2H3,(H,34,37);1H
• InChIKey: OIXCCDPZSXZCRQ-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.71
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	1
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]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide?

The IUPAC name of 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide (CID 173455959) is 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide.

What is the SMILES notation for 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide?

The canonical SMILES for 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide is Br.Cc1cccc(Cl)c1NC(=O)C(C)N1C=CN(C(Cl)C(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1.

What is the InChIKey of 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide?

The InChIKey is OIXCCDPZSXZCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl5N3O2.BrH/c1-17-4-3-5-23(31)25(17)34-28(37)18(2)35-12-13-36(16-35)27(33)26(19-6-9-21(29)10-7-19)38-15-20-8-11-22(30)14-24(20)32;/h3-14,18,26-27H,15-16H2,1-2H3,(H,34,37);1H.

What are the key properties of 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide?

2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide has a molecular weight of 694.71 g/mol, XLogP of 9.08, 9 rotatable bonds, 1 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]-N-(2-chloro-6-methylphenyl)propanamide;hydrobromide is sourced from PubChem (CID 173455959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).