2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol

C23H15Br2FN4O — CID 135544371

About 2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol

2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol (PubChem CID 135544371) has the molecular formula C23H15Br2FN4O and a molecular weight of 542.21 g/mol. Its IUPAC name is 2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol.

Molecular Properties

• Compound Name: 2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
• PubChem CID: 135544371
• Molecular Formula: C23H15Br2FN4O
• Molecular Weight: 542.21 g/mol
• Exact Mass: 539.96
• IUPAC Name: 2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
• SMILES: Oc1c(Br)cc(Br)cc1/C=N\c1nc(-c2ccccc2)cn1/N=C\c1ccc(F)cc1
• InChI: InChI=1S/C23H15Br2FN4O/c24-18-10-17(22(31)20(25)11-18)13-27-23-29-21(16-4-2-1-3-5-16)14-30(23)28-12-15-6-8-19(26)9-7-15/h1-14,31H/b27-13-,28-12-
• InChIKey: KGWQOONEWUATEF-PMLQKNKPSA-N
• XLogP: 6.55
• TPSA: 62.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.21
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?

The IUPAC name of 2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol (CID 135544371) is 2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol.

What is the SMILES notation for 2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?

The canonical SMILES for 2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol is Oc1c(Br)cc(Br)cc1/C=N\c1nc(-c2ccccc2)cn1/N=C\c1ccc(F)cc1.

What is the InChIKey of 2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?

The InChIKey is KGWQOONEWUATEF-PMLQKNKPSA-N. The full InChI is InChI=1S/C23H15Br2FN4O/c24-18-10-17(22(31)20(25)11-18)13-27-23-29-21(16-4-2-1-3-5-16)14-30(23)28-12-15-6-8-19(26)9-7-15/h1-14,31H/b27-13-,28-12-.

What are the key properties of 2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?

2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol has a molecular weight of 542.21 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dibromo-6-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol is sourced from PubChem (CID 135544371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).