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

C17H13N3S — CID 70685192

IUPAC2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine
SMILESc1ccc2sc(-c3ccc(Cn4ccnc4)cn3)cc2c1
InChIInChI=1S/C17H13N3S/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
InChIKeyXDFGFMSHVHUFHW-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.21
Rot. Bonds3

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

2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine (PubChem CID 70685192) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine
PubChem CID70685192
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine
SMILESc1ccc2sc(-c3ccc(Cn4ccnc4)cn3)cc2c1
InChIInChI=1S/C17H13N3S/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
InChIKeyXDFGFMSHVHUFHW-UHFFFAOYSA-N
XLogP4.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine (CID 70685192) is 2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine is c1ccc2sc(-c3ccc(Cn4ccnc4)cn3)cc2c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine?
The InChIKey is XDFGFMSHVHUFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/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-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine?
2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine has a molecular weight of 291.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine is sourced from PubChem (CID 70685192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).