3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine

C22H17N3 — CID 54202696

IUPAC3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine
SMILESC(=Cc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1cccnc1
InChIInChI=1S/C22H17N3/c1-3-9-18(10-4-1)21-22(19-11-5-2-6-12-19)25-20(24-21)14-13-17-8-7-15-23-16-17/h1-16H,(H,24,25)
InChIKeyPQJIKUYXEVDFIJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.31
Rot. Bonds4

About 3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine

3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine (PubChem CID 54202696) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine
PubChem CID54202696
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine
SMILESC(=Cc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1cccnc1
InChIInChI=1S/C22H17N3/c1-3-9-18(10-4-1)21-22(19-11-5-2-6-12-19)25-20(24-21)14-13-17-8-7-15-23-16-17/h1-16H,(H,24,25)
InChIKeyPQJIKUYXEVDFIJ-UHFFFAOYSA-N
XLogP5.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine?
The IUPAC name of 3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine (CID 54202696) is 3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine.
What is the SMILES notation for 3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine?
The canonical SMILES for 3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine is C(=Cc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1cccnc1.
What is the InChIKey of 3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine?
The InChIKey is PQJIKUYXEVDFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-3-9-18(10-4-1)21-22(19-11-5-2-6-12-19)25-20(24-21)14-13-17-8-7-15-23-16-17/h1-16H,(H,24,25).
What are the key properties of 3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine?
3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine has a molecular weight of 323.40 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-diphenyl-1H-imidazol-2-yl)ethenyl]pyridine is sourced from PubChem (CID 54202696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).