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

C20H14BrN3 — CID 10474631

IUPAC4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
SMILESBrc1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C20H14BrN3/c21-17-8-6-16(7-9-17)20-23-18(14-4-2-1-3-5-14)19(24-20)15-10-12-22-13-11-15/h1-13H,(H,23,24)
InChIKeyQUKMNFBZSMFVFB-UHFFFAOYSA-N
MW376.26 g/mol
LogP5.57
Rot. Bonds3

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

4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine (PubChem CID 10474631) has the molecular formula C20H14BrN3 and a molecular weight of 376.26 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
PubChem CID10474631
Molecular FormulaC20H14BrN3
Molecular Weight376.26 g/mol
Exact Mass375.04
IUPAC Name4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
SMILESBrc1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C20H14BrN3/c21-17-8-6-16(7-9-17)20-23-18(14-4-2-1-3-5-14)19(24-20)15-10-12-22-13-11-15/h1-13H,(H,23,24)
InChIKeyQUKMNFBZSMFVFB-UHFFFAOYSA-N
XLogP5.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine (CID 10474631) is 4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine is Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine?
The InChIKey is QUKMNFBZSMFVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3/c21-17-8-6-16(7-9-17)20-23-18(14-4-2-1-3-5-14)19(24-20)15-10-12-22-13-11-15/h1-13H,(H,23,24).
What are the key properties of 4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine?
4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine has a molecular weight of 376.26 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10474631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).