4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

C20H13BrFN3 — CID 10318451

IUPAC4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(-c3cccc(Br)c3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C20H13BrFN3/c21-16-3-1-2-15(12-16)20-24-18(13-4-6-17(22)7-5-13)19(25-20)14-8-10-23-11-9-14/h1-12H,(H,24,25)
InChIKeySLEDJBMFRMKJLH-UHFFFAOYSA-N
MW394.25 g/mol
LogP5.71
Rot. Bonds3

About 4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 10318451) has the molecular formula C20H13BrFN3 and a molecular weight of 394.25 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID10318451
Molecular FormulaC20H13BrFN3
Molecular Weight394.25 g/mol
Exact Mass393.03
IUPAC Name4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(-c3cccc(Br)c3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C20H13BrFN3/c21-16-3-1-2-15(12-16)20-24-18(13-4-6-17(22)7-5-13)19(25-20)14-8-10-23-11-9-14/h1-12H,(H,24,25)
InChIKeySLEDJBMFRMKJLH-UHFFFAOYSA-N
XLogP5.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.25
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (CID 10318451) is 4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is Fc1ccc(-c2nc(-c3cccc(Br)c3)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is SLEDJBMFRMKJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrFN3/c21-16-3-1-2-15(12-16)20-24-18(13-4-6-17(22)7-5-13)19(25-20)14-8-10-23-11-9-14/h1-12H,(H,24,25).
What are the key properties of 4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 394.25 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10318451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).