1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride

C31H25Cl6FN2O — CID 173462726

About 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride

1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride (PubChem CID 173462726) has the molecular formula C31H25Cl6FN2O and a molecular weight of 673.27 g/mol. Its IUPAC name is 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride.

Molecular Properties

• Compound Name: 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride
• PubChem CID: 173462726
• Molecular Formula: C31H25Cl6FN2O
• Molecular Weight: 673.27 g/mol
• Exact Mass: 670.01
• IUPAC Name: 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride
• SMILES: Cl.Fc1ccc(C(c2ccc(Cl)cc2)N2C=CN(C(Cl)C(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)C2)cc1
• InChI: InChI=1S/C31H24Cl5FN2O.ClH/c32-24-8-1-20(2-9-24)29(21-6-13-27(37)14-7-21)38-15-16-39(19-38)31(36)30(22-3-10-25(33)11-4-22)40-18-23-5-12-26(34)17-28(23)35;/h1-17,29-31H,18-19H2;1H
• InChIKey: LMXBVRGBUCTQCA-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.27
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride?

The IUPAC name of 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride (CID 173462726) is 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride.

What is the SMILES notation for 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride?

The canonical SMILES for 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride is Cl.Fc1ccc(C(c2ccc(Cl)cc2)N2C=CN(C(Cl)C(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)C2)cc1.

What is the InChIKey of 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride?

The InChIKey is LMXBVRGBUCTQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Cl5FN2O.ClH/c32-24-8-1-20(2-9-24)29(21-6-13-27(37)14-7-21)38-15-16-39(19-38)31(36)30(22-3-10-25(33)11-4-22)40-18-23-5-12-26(34)17-28(23)35;/h1-17,29-31H,18-19H2;1H.

What are the key properties of 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride?

1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride has a molecular weight of 673.27 g/mol, XLogP of 10.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride is sourced from PubChem (CID 173462726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).