2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine

C17H13N3O — CID 70691516

IUPAC2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine
SMILESc1ccc2oc(-c3ccc(Cn4ccnc4)cn3)cc2c1
InChIInChI=1S/C17H13N3O/c1-2-4-16-14(3-1)9-17(21-16)15-6-5-13(10-19-15)11-20-8-7-18-12-20/h1-10,12H,11H2
InChIKeyVAUXLTVBFLHIEQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.74
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine

2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine (PubChem CID 70691516) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine
PubChem CID70691516
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine
SMILESc1ccc2oc(-c3ccc(Cn4ccnc4)cn3)cc2c1
InChIInChI=1S/C17H13N3O/c1-2-4-16-14(3-1)9-17(21-16)15-6-5-13(10-19-15)11-20-8-7-18-12-20/h1-10,12H,11H2
InChIKeyVAUXLTVBFLHIEQ-UHFFFAOYSA-N
XLogP3.74
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine (CID 70691516) is 2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine is c1ccc2oc(-c3ccc(Cn4ccnc4)cn3)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine?
The InChIKey is VAUXLTVBFLHIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-4-16-14(3-1)9-17(21-16)15-6-5-13(10-19-15)11-20-8-7-18-12-20/h1-10,12H,11H2.
What are the key properties of 2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine?
2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine has a molecular weight of 275.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-(imidazol-1-ylmethyl)pyridine is sourced from PubChem (CID 70691516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).