3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile

C17H14N4 — CID 86217266

IUPAC3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile
SMILESCCc1ccncc1-c1ncc(-c2cccc(C#N)c2)[nH]1
InChIInChI=1S/C17H14N4/c1-2-13-6-7-19-10-15(13)17-20-11-16(21-17)14-5-3-4-12(8-14)9-18/h3-8,10-11H,2H2,1H3,(H,20,21)
InChIKeyXUUPQVPIXRVJTA-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.57
Rot. Bonds3

About 3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile

3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile (PubChem CID 86217266) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile
PubChem CID86217266
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile
SMILESCCc1ccncc1-c1ncc(-c2cccc(C#N)c2)[nH]1
InChIInChI=1S/C17H14N4/c1-2-13-6-7-19-10-15(13)17-20-11-16(21-17)14-5-3-4-12(8-14)9-18/h3-8,10-11H,2H2,1H3,(H,20,21)
InChIKeyXUUPQVPIXRVJTA-UHFFFAOYSA-N
XLogP3.57
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile?
The IUPAC name of 3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile (CID 86217266) is 3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile.
What is the SMILES notation for 3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile?
The canonical SMILES for 3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile is CCc1ccncc1-c1ncc(-c2cccc(C#N)c2)[nH]1.
What is the InChIKey of 3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile?
The InChIKey is XUUPQVPIXRVJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-2-13-6-7-19-10-15(13)17-20-11-16(21-17)14-5-3-4-12(8-14)9-18/h3-8,10-11H,2H2,1H3,(H,20,21).
What are the key properties of 3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile?
3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile has a molecular weight of 274.33 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile is sourced from PubChem (CID 86217266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).