5-(1-imidazol-1-ylethyl)-2-phenylpyridine

C16H15N3 — CID 57329940

IUPAC5-(1-imidazol-1-ylethyl)-2-phenylpyridine
SMILESCC(c1ccc(-c2ccccc2)nc1)n1ccnc1
InChIInChI=1S/C16H15N3/c1-13(19-10-9-17-12-19)15-7-8-16(18-11-15)14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyFXEVLBPOBBGUKB-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.55
Rot. Bonds3

About 5-(1-imidazol-1-ylethyl)-2-phenylpyridine

5-(1-imidazol-1-ylethyl)-2-phenylpyridine (PubChem CID 57329940) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-(1-imidazol-1-ylethyl)-2-phenylpyridine.

Molecular Properties

Compound Name5-(1-imidazol-1-ylethyl)-2-phenylpyridine
PubChem CID57329940
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name5-(1-imidazol-1-ylethyl)-2-phenylpyridine
SMILESCC(c1ccc(-c2ccccc2)nc1)n1ccnc1
InChIInChI=1S/C16H15N3/c1-13(19-10-9-17-12-19)15-7-8-16(18-11-15)14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyFXEVLBPOBBGUKB-UHFFFAOYSA-N
XLogP3.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-imidazol-1-ylethyl)-2-phenylpyridine?
The IUPAC name of 5-(1-imidazol-1-ylethyl)-2-phenylpyridine (CID 57329940) is 5-(1-imidazol-1-ylethyl)-2-phenylpyridine.
What is the SMILES notation for 5-(1-imidazol-1-ylethyl)-2-phenylpyridine?
The canonical SMILES for 5-(1-imidazol-1-ylethyl)-2-phenylpyridine is CC(c1ccc(-c2ccccc2)nc1)n1ccnc1.
What is the InChIKey of 5-(1-imidazol-1-ylethyl)-2-phenylpyridine?
The InChIKey is FXEVLBPOBBGUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-13(19-10-9-17-12-19)15-7-8-16(18-11-15)14-5-3-2-4-6-14/h2-13H,1H3.
What are the key properties of 5-(1-imidazol-1-ylethyl)-2-phenylpyridine?
5-(1-imidazol-1-ylethyl)-2-phenylpyridine has a molecular weight of 249.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-imidazol-1-ylethyl)-2-phenylpyridine is sourced from PubChem (CID 57329940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).