3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine

C20H14BrF2N3 — CID 10223516

IUPAC3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine
SMILESFc1ccc(C2(c3ccc(F)cc3)CN=C(c3cncc(Br)c3)N2)cc1
InChIInChI=1S/C20H14BrF2N3/c21-16-9-13(10-24-11-16)19-25-12-20(26-19,14-1-5-17(22)6-2-14)15-3-7-18(23)8-4-15/h1-11H,12H2,(H,25,26)
InChIKeyMQEAVOVITJLJIM-UHFFFAOYSA-N
MW414.25 g/mol
LogP4.42
Rot. Bonds3

About 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine

3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine (PubChem CID 10223516) has the molecular formula C20H14BrF2N3 and a molecular weight of 414.25 g/mol. Its IUPAC name is 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine.

Molecular Properties

Compound Name3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine
PubChem CID10223516
Molecular FormulaC20H14BrF2N3
Molecular Weight414.25 g/mol
Exact Mass413.03
IUPAC Name3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine
SMILESFc1ccc(C2(c3ccc(F)cc3)CN=C(c3cncc(Br)c3)N2)cc1
InChIInChI=1S/C20H14BrF2N3/c21-16-9-13(10-24-11-16)19-25-12-20(26-19,14-1-5-17(22)6-2-14)15-3-7-18(23)8-4-15/h1-11H,12H2,(H,25,26)
InChIKeyMQEAVOVITJLJIM-UHFFFAOYSA-N
XLogP4.42
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.25
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine?
The IUPAC name of 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine (CID 10223516) is 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine.
What is the SMILES notation for 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine?
The canonical SMILES for 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine is Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cncc(Br)c3)N2)cc1.
What is the InChIKey of 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine?
The InChIKey is MQEAVOVITJLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF2N3/c21-16-9-13(10-24-11-16)19-25-12-20(26-19,14-1-5-17(22)6-2-14)15-3-7-18(23)8-4-15/h1-11H,12H2,(H,25,26).
What are the key properties of 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine?
3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine has a molecular weight of 414.25 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine is sourced from PubChem (CID 10223516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).