3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile

C11H9N3O — CID 81445342

IUPAC3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile
SMILESCc1cn(-c2cccc(C#N)c2)c(=O)[nH]1
InChIInChI=1S/C11H9N3O/c1-8-7-14(11(15)13-8)10-4-2-3-9(5-10)6-12/h2-5,7H,1H3,(H,13,15)
InChIKeyZAWDJRUWXVYJLG-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.35
Rot. Bonds1

About 3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile

3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile (PubChem CID 81445342) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile
PubChem CID81445342
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile
SMILESCc1cn(-c2cccc(C#N)c2)c(=O)[nH]1
InChIInChI=1S/C11H9N3O/c1-8-7-14(11(15)13-8)10-4-2-3-9(5-10)6-12/h2-5,7H,1H3,(H,13,15)
InChIKeyZAWDJRUWXVYJLG-UHFFFAOYSA-N
XLogP1.35
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-methyl-2-oxo-1H-imidazol-3-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-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile?
The IUPAC name of 3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile (CID 81445342) is 3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile.
What is the SMILES notation for 3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile?
The canonical SMILES for 3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile is Cc1cn(-c2cccc(C#N)c2)c(=O)[nH]1.
What is the InChIKey of 3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile?
The InChIKey is ZAWDJRUWXVYJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-8-7-14(11(15)13-8)10-4-2-3-9(5-10)6-12/h2-5,7H,1H3,(H,13,15).
What are the key properties of 3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile?
3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile has a molecular weight of 199.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile is sourced from PubChem (CID 81445342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).