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

C13H11N3S — CID 57329792

IUPAC5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine
SMILESc1csc(-c2ccc(Cn3ccnc3)cn2)c1
InChIInChI=1S/C13H11N3S/c1-2-13(17-7-1)12-4-3-11(8-15-12)9-16-6-5-14-10-16/h1-8,10H,9H2
InChIKeyNXBVQFNDCVPKIC-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.05
Rot. Bonds3

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

5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine (PubChem CID 57329792) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine
PubChem CID57329792
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine
SMILESc1csc(-c2ccc(Cn3ccnc3)cn2)c1
InChIInChI=1S/C13H11N3S/c1-2-13(17-7-1)12-4-3-11(8-15-12)9-16-6-5-14-10-16/h1-8,10H,9H2
InChIKeyNXBVQFNDCVPKIC-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-2-ylpyridine?
The IUPAC name of 5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine (CID 57329792) is 5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine is c1csc(-c2ccc(Cn3ccnc3)cn2)c1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine?
The InChIKey is NXBVQFNDCVPKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-13(17-7-1)12-4-3-11(8-15-12)9-16-6-5-14-10-16/h1-8,10H,9H2.
What are the key properties of 5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine?
5-(imidazol-1-ylmethyl)-2-thiophen-2-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-2-ylpyridine is sourced from PubChem (CID 57329792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).