3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine

C16H15N3 — CID 172839136

IUPAC3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine
SMILESc1ccc(Cc2cccnc2Cc2ncc[nH]2)cc1
InChIInChI=1S/C16H15N3/c1-2-5-13(6-3-1)11-14-7-4-8-17-15(14)12-16-18-9-10-19-16/h1-10H,11-12H2,(H,18,19)
InChIKeyWOETTZFNCAGIHI-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.99
Rot. Bonds4

About 3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine

3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine (PubChem CID 172839136) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine.

Molecular Properties

Compound Name3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine
PubChem CID172839136
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine
SMILESc1ccc(Cc2cccnc2Cc2ncc[nH]2)cc1
InChIInChI=1S/C16H15N3/c1-2-5-13(6-3-1)11-14-7-4-8-17-15(14)12-16-18-9-10-19-16/h1-10H,11-12H2,(H,18,19)
InChIKeyWOETTZFNCAGIHI-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine?
The IUPAC name of 3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine (CID 172839136) is 3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine.
What is the SMILES notation for 3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine?
The canonical SMILES for 3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine is c1ccc(Cc2cccnc2Cc2ncc[nH]2)cc1.
What is the InChIKey of 3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine?
The InChIKey is WOETTZFNCAGIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-5-13(6-3-1)11-14-7-4-8-17-15(14)12-16-18-9-10-19-16/h1-10H,11-12H2,(H,18,19).
What are the key properties of 3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine?
3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine has a molecular weight of 249.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine is sourced from PubChem (CID 172839136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).