5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine

C13H11N3S — CID 67515607

IUPAC5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine
SMILESc1cn(Cc2ccc(-c3ccsc3)nc2)cn1
InChIInChI=1S/C13H11N3S/c1-2-13(12-3-6-17-9-12)15-7-11(1)8-16-5-4-14-10-16/h1-7,9-10H,8H2
InChIKeyCRBPQFZDACMHCD-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.05
Rot. Bonds3

About 5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine

5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine (PubChem CID 67515607) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine
PubChem CID67515607
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine
SMILESc1cn(Cc2ccc(-c3ccsc3)nc2)cn1
InChIInChI=1S/C13H11N3S/c1-2-13(12-3-6-17-9-12)15-7-11(1)8-16-5-4-14-10-16/h1-7,9-10H,8H2
InChIKeyCRBPQFZDACMHCD-UHFFFAOYSA-N
XLogP3.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine?
The IUPAC name of 5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine (CID 67515607) is 5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine is c1cn(Cc2ccc(-c3ccsc3)nc2)cn1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine?
The InChIKey is CRBPQFZDACMHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-13(12-3-6-17-9-12)15-7-11(1)8-16-5-4-14-10-16/h1-7,9-10H,8H2.
What are the key properties of 5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine?
5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine has a molecular weight of 241.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-2-thiophen-3-ylpyridine is sourced from PubChem (CID 67515607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).