2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile

C12H13N3O — CID 116982437

IUPAC2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
SMILESCN1C(=O)N(CC#N)CC1c1ccccc1
InChIInChI=1S/C12H13N3O/c1-14-11(10-5-3-2-4-6-10)9-15(8-7-13)12(14)16/h2-6,11H,8-9H2,1H3
InChIKeyNPVZVBJHBGFOKP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.62
Rot. Bonds2

About 2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile

2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile (PubChem CID 116982437) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
PubChem CID116982437
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
SMILESCN1C(=O)N(CC#N)CC1c1ccccc1
InChIInChI=1S/C12H13N3O/c1-14-11(10-5-3-2-4-6-10)9-15(8-7-13)12(14)16/h2-6,11H,8-9H2,1H3
InChIKeyNPVZVBJHBGFOKP-UHFFFAOYSA-N
XLogP1.62
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile 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 2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile?
The IUPAC name of 2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile (CID 116982437) is 2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile?
The canonical SMILES for 2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile is CN1C(=O)N(CC#N)CC1c1ccccc1.
What is the InChIKey of 2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile?
The InChIKey is NPVZVBJHBGFOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-14-11(10-5-3-2-4-6-10)9-15(8-7-13)12(14)16/h2-6,11H,8-9H2,1H3.
What are the key properties of 2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile?
2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile has a molecular weight of 215.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile is sourced from PubChem (CID 116982437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).