3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile

C14H15N3O — CID 654871

IUPAC3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile
SMILESCCOc1ccc(-c2cn(CCC#N)cn2)cc1
InChIInChI=1S/C14H15N3O/c1-2-18-13-6-4-12(5-7-13)14-10-17(11-16-14)9-3-8-15/h4-7,10-11H,2-3,9H2,1H3
InChIKeyFQMGCFXFJRYSPP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.86
Rot. Bonds5

About 3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile

3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile (PubChem CID 654871) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile
PubChem CID654871
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile
SMILESCCOc1ccc(-c2cn(CCC#N)cn2)cc1
InChIInChI=1S/C14H15N3O/c1-2-18-13-6-4-12(5-7-13)14-10-17(11-16-14)9-3-8-15/h4-7,10-11H,2-3,9H2,1H3
InChIKeyFQMGCFXFJRYSPP-UHFFFAOYSA-N
XLogP2.86
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile?
The IUPAC name of 3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile (CID 654871) is 3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile is CCOc1ccc(-c2cn(CCC#N)cn2)cc1.
What is the InChIKey of 3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile?
The InChIKey is FQMGCFXFJRYSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-18-13-6-4-12(5-7-13)14-10-17(11-16-14)9-3-8-15/h4-7,10-11H,2-3,9H2,1H3.
What are the key properties of 3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile?
3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile has a molecular weight of 241.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethoxyphenyl)imidazol-1-yl]propanenitrile is sourced from PubChem (CID 654871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).