2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole

C21H15BrF2N2 — CID 10273149

IUPAC2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole
SMILESFc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccc(Br)c3)N2)cc1
InChIInChI=1S/C21H15BrF2N2/c22-17-3-1-2-14(12-17)20-25-13-21(26-20,15-4-8-18(23)9-5-15)16-6-10-19(24)11-7-16/h1-12H,13H2,(H,25,26)
InChIKeyCTEPVWUWMFPIKA-UHFFFAOYSA-N
MW413.27 g/mol
LogP5.02
Rot. Bonds3

About 2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole

2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole (PubChem CID 10273149) has the molecular formula C21H15BrF2N2 and a molecular weight of 413.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole
PubChem CID10273149
Molecular FormulaC21H15BrF2N2
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole
SMILESFc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccc(Br)c3)N2)cc1
InChIInChI=1S/C21H15BrF2N2/c22-17-3-1-2-14(12-17)20-25-13-21(26-20,15-4-8-18(23)9-5-15)16-6-10-19(24)11-7-16/h1-12H,13H2,(H,25,26)
InChIKeyCTEPVWUWMFPIKA-UHFFFAOYSA-N
XLogP5.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.27
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole?
The IUPAC name of 2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole (CID 10273149) is 2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole?
The canonical SMILES for 2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole is Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccc(Br)c3)N2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole?
The InChIKey is CTEPVWUWMFPIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrF2N2/c22-17-3-1-2-14(12-17)20-25-13-21(26-20,15-4-8-18(23)9-5-15)16-6-10-19(24)11-7-16/h1-12H,13H2,(H,25,26).
What are the key properties of 2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole?
2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole has a molecular weight of 413.27 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5,5-bis(4-fluorophenyl)-1,4-dihydroimidazole is sourced from PubChem (CID 10273149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).