5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine

C21H17N3 — CID 57330007

IUPAC5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine
SMILESc1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cn2)cc1
InChIInChI=1S/C21H17N3/c1-3-7-17(8-4-1)20-12-11-19(15-23-20)21(24-14-13-22-16-24)18-9-5-2-6-10-18/h1-16,21H
InChIKeyKSDCTOSTPCSIPT-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.58
Rot. Bonds4

About 5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine

5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine (PubChem CID 57330007) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine.

Molecular Properties

Compound Name5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine
PubChem CID57330007
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine
SMILESc1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cn2)cc1
InChIInChI=1S/C21H17N3/c1-3-7-17(8-4-1)20-12-11-19(15-23-20)21(24-14-13-22-16-24)18-9-5-2-6-10-18/h1-16,21H
InChIKeyKSDCTOSTPCSIPT-UHFFFAOYSA-N
XLogP4.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine?
The IUPAC name of 5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine (CID 57330007) is 5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine.
What is the SMILES notation for 5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine?
The canonical SMILES for 5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine is c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cn2)cc1.
What is the InChIKey of 5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine?
The InChIKey is KSDCTOSTPCSIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-3-7-17(8-4-1)20-12-11-19(15-23-20)21(24-14-13-22-16-24)18-9-5-2-6-10-18/h1-16,21H.
What are the key properties of 5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine?
5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine has a molecular weight of 311.39 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[imidazol-1-yl(phenyl)methyl]-2-phenylpyridine is sourced from PubChem (CID 57330007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).