1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid

C24H21Cl2N3O4 — CID 70595520

About 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid

1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid (PubChem CID 70595520) has the molecular formula C24H21Cl2N3O4 and a molecular weight of 486.36 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid.

Molecular Properties

• Compound Name: 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid
• PubChem CID: 70595520
• Molecular Formula: C24H21Cl2N3O4
• Molecular Weight: 486.36 g/mol
• Exact Mass: 485.09
• IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid
• SMILES: Clc1ccc(C(Cn2ccnc2)OCc2ccc(-c3ccccc3)cc2)c(Cl)c1.O=[N+]([O-])O
• InChI: InChI=1S/C24H20Cl2N2O.HNO3/c25-21-10-11-22(23(26)14-21)24(15-28-13-12-27-17-28)29-16-18-6-8-20(9-7-18)19-4-2-1-3-5-19;2-1(3)4/h1-14,17,24H,15-16H2;(H,2,3,4)
• InChIKey: CJWIPBSZUBAVBF-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 90.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.36
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid?

The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid (CID 70595520) is 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid.

What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid?

The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid is Clc1ccc(C(Cn2ccnc2)OCc2ccc(-c3ccccc3)cc2)c(Cl)c1.O=[N+]([O-])O.

What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid?

The InChIKey is CJWIPBSZUBAVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O.HNO3/c25-21-10-11-22(23(26)14-21)24(15-28-13-12-27-17-28)29-16-18-6-8-20(9-7-18)19-4-2-1-3-5-19;2-1(3)4/h1-14,17,24H,15-16H2;(H,2,3,4).

What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid?

1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid has a molecular weight of 486.36 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid is sourced from PubChem (CID 70595520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).