2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile

C11H9N3O2 — CID 103123995

IUPAC2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile
SMILESN#CCOc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C11H9N3O2/c12-5-8-16-10-3-1-9(2-4-10)14-7-6-13-11(14)15/h1-4,6-7H,8H2,(H,13,15)
InChIKeyZYTJZWKPCYPVKH-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.07
Rot. Bonds3

About 2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile

2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile (PubChem CID 103123995) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile
PubChem CID103123995
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile
SMILESN#CCOc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C11H9N3O2/c12-5-8-16-10-3-1-9(2-4-10)14-7-6-13-11(14)15/h1-4,6-7H,8H2,(H,13,15)
InChIKeyZYTJZWKPCYPVKH-UHFFFAOYSA-N
XLogP1.07
TPSA70.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile?
The IUPAC name of 2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile (CID 103123995) is 2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile?
The canonical SMILES for 2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile is N#CCOc1ccc(-n2cc[nH]c2=O)cc1.
What is the InChIKey of 2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile?
The InChIKey is ZYTJZWKPCYPVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-5-8-16-10-3-1-9(2-4-10)14-7-6-13-11(14)15/h1-4,6-7H,8H2,(H,13,15).
What are the key properties of 2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile?
2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile has a molecular weight of 215.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile is sourced from PubChem (CID 103123995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).