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

C23H15Br2FN4O — CID 136614253

IUPAC2,4-dibromo-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1C=Nc1nc(-c2ccccc2)cn1N=Cc1ccc(F)cc1
InChIInChI=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
InChIKeyKGWQOONEWUATEF-UHFFFAOYSA-N
MW542.21 g/mol
LogP6.55
Rot. Bonds5

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

2,4-dibromo-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol (PubChem CID 136614253) has the molecular formula C23H15Br2FN4O and a molecular weight of 542.21 g/mol. Its IUPAC name is 2,4-dibromo-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
PubChem CID136614253
Molecular FormulaC23H15Br2FN4O
Molecular Weight542.21 g/mol
Exact Mass539.96
IUPAC Name2,4-dibromo-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1C=Nc1nc(-c2ccccc2)cn1N=Cc1ccc(F)cc1
InChIInChI=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
InChIKeyKGWQOONEWUATEF-UHFFFAOYSA-N
XLogP6.55
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.21
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol (CID 136614253) is 2,4-dibromo-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol is Oc1c(Br)cc(Br)cc1C=Nc1nc(-c2ccccc2)cn1N=Cc1ccc(F)cc1.
What is the InChIKey of 2,4-dibromo-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The InChIKey is KGWQOONEWUATEF-UHFFFAOYSA-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.
What are the key properties of 2,4-dibromo-6-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
2,4-dibromo-6-[[1-[(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-[[1-[(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol is sourced from PubChem (CID 136614253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).