2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(5-chlorothiophen-2-yl)ethanone;hydrobromide

C24H20BrCl5N2O2S — CID 173456151

About 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(5-chlorothiophen-2-yl)ethanone;hydrobromide

2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(5-chlorothiophen-2-yl)ethanone;hydrobromide (PubChem CID 173456151) has the molecular formula C24H20BrCl5N2O2S and a molecular weight of 657.67 g/mol. Its IUPAC name is 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(5-chlorothiophen-2-yl)ethanone;hydrobromide.

Molecular Properties

• Compound Name: 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(5-chlorothiophen-2-yl)ethanone;hydrobromide
• PubChem CID: 173456151
• Molecular Formula: C24H20BrCl5N2O2S
• Molecular Weight: 657.67 g/mol
• Exact Mass: 653.89
• IUPAC Name: 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(5-chlorothiophen-2-yl)ethanone;hydrobromide
• SMILES: Br.O=C(CN1C=CN(C(Cl)C(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1)c1ccc(Cl)s1
• InChI: InChI=1S/C24H19Cl5N2O2S.BrH/c25-17-4-1-15(2-5-17)23(33-13-16-3-6-18(26)11-19(16)27)24(29)31-10-9-30(14-31)12-20(32)21-7-8-22(28)34-21;/h1-11,23-24H,12-14H2;1H
• InChIKey: YIXVLFDDIBFFPD-UHFFFAOYSA-N
• XLogP: 8.69
• TPSA: 32.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.67
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-(5-chlorothiophen-2-yl)ethanone;hydrobromide?

The IUPAC name of 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(5-chlorothiophen-2-yl)ethanone;hydrobromide (CID 173456151) is 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(5-chlorothiophen-2-yl)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-(5-chlorothiophen-2-yl)ethanone;hydrobromide?

The canonical SMILES for 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(5-chlorothiophen-2-yl)ethanone;hydrobromide is Br.O=C(CN1C=CN(C(Cl)C(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1)c1ccc(Cl)s1.

What is the InChIKey of 2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(5-chlorothiophen-2-yl)ethanone;hydrobromide?

The InChIKey is YIXVLFDDIBFFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl5N2O2S.BrH/c25-17-4-1-15(2-5-17)23(33-13-16-3-6-18(26)11-19(16)27)24(29)31-10-9-30(14-31)12-20(32)21-7-8-22(28)34-21;/h1-11,23-24H,12-14H2;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-(5-chlorothiophen-2-yl)ethanone;hydrobromide?

2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(5-chlorothiophen-2-yl)ethanone;hydrobromide has a molecular weight of 657.67 g/mol, XLogP of 8.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 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-(5-chlorothiophen-2-yl)ethanone;hydrobromide is sourced from PubChem (CID 173456151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).