3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine

C14H19N3 — CID 71050258

IUPAC3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine
SMILESCCCC(C)c1cncc(-c2nccn2C)c1
InChIInChI=1S/C14H19N3/c1-4-5-11(2)12-8-13(10-15-9-12)14-16-6-7-17(14)3/h6-11H,4-5H2,1-3H3
InChIKeyDZEFXDIZOFUULC-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.39
Rot. Bonds4

About 3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine

3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine (PubChem CID 71050258) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine
PubChem CID71050258
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine
SMILESCCCC(C)c1cncc(-c2nccn2C)c1
InChIInChI=1S/C14H19N3/c1-4-5-11(2)12-8-13(10-15-9-12)14-16-6-7-17(14)3/h6-11H,4-5H2,1-3H3
InChIKeyDZEFXDIZOFUULC-UHFFFAOYSA-N
XLogP3.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine (CID 71050258) is 3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine is CCCC(C)c1cncc(-c2nccn2C)c1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine?
The InChIKey is DZEFXDIZOFUULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-5-11(2)12-8-13(10-15-9-12)14-16-6-7-17(14)3/h6-11H,4-5H2,1-3H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine?
3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine has a molecular weight of 229.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-5-pentan-2-ylpyridine is sourced from PubChem (CID 71050258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).