2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile

C16H19N3O2 — CID 80579298

IUPAC2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile
SMILESCCCn1ccn(CCOc2ccc(CC#N)cc2)c1=O
InChIInChI=1S/C16H19N3O2/c1-2-9-18-10-11-19(16(18)20)12-13-21-15-5-3-14(4-6-15)7-8-17/h3-6,10-11H,2,7,9,12-13H2,1H3
InChIKeyJQIHVJIPBZFLMZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.20
Rot. Bonds7

About 2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile

2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile (PubChem CID 80579298) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile
PubChem CID80579298
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile
SMILESCCCn1ccn(CCOc2ccc(CC#N)cc2)c1=O
InChIInChI=1S/C16H19N3O2/c1-2-9-18-10-11-19(16(18)20)12-13-21-15-5-3-14(4-6-15)7-8-17/h3-6,10-11H,2,7,9,12-13H2,1H3
InChIKeyJQIHVJIPBZFLMZ-UHFFFAOYSA-N
XLogP2.20
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile (CID 80579298) is 2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile is CCCn1ccn(CCOc2ccc(CC#N)cc2)c1=O.
What is the InChIKey of 2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile?
The InChIKey is JQIHVJIPBZFLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-9-18-10-11-19(16(18)20)12-13-21-15-5-3-14(4-6-15)7-8-17/h3-6,10-11H,2,7,9,12-13H2,1H3.
What are the key properties of 2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile?
2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile has a molecular weight of 285.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 80579298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).