3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine

C14H13N3S — CID 116621555

IUPAC3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
SMILESc1cncc(CCn2ccnc2-c2cccs2)c1
InChIInChI=1S/C14H13N3S/c1-3-12(11-15-6-1)5-8-17-9-7-16-14(17)13-4-2-10-18-13/h1-4,6-7,9-11H,5,8H2
InChIKeyAVGGNAHCGQJZEY-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.25
Rot. Bonds4

About 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine

3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine (PubChem CID 116621555) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine.

Molecular Properties

Compound Name3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
PubChem CID116621555
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
SMILESc1cncc(CCn2ccnc2-c2cccs2)c1
InChIInChI=1S/C14H13N3S/c1-3-12(11-15-6-1)5-8-17-9-7-16-14(17)13-4-2-10-18-13/h1-4,6-7,9-11H,5,8H2
InChIKeyAVGGNAHCGQJZEY-UHFFFAOYSA-N
XLogP3.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine?
The IUPAC name of 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine (CID 116621555) is 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine.
What is the SMILES notation for 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine?
The canonical SMILES for 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine is c1cncc(CCn2ccnc2-c2cccs2)c1.
What is the InChIKey of 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine?
The InChIKey is AVGGNAHCGQJZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-3-12(11-15-6-1)5-8-17-9-7-16-14(17)13-4-2-10-18-13/h1-4,6-7,9-11H,5,8H2.
What are the key properties of 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine?
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine has a molecular weight of 255.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine is sourced from PubChem (CID 116621555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).