4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile

C12H13N3O — CID 116979999

IUPAC4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile
SMILESCc1ccc(C2CN(C#N)C(=O)N2)c(C)c1
InChIInChI=1S/C12H13N3O/c1-8-3-4-10(9(2)5-8)11-6-15(7-13)12(16)14-11/h3-5,11H,6H2,1-2H3,(H,14,16)
InChIKeyDJDPJJMPRORDQF-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.85
Rot. Bonds1

About 4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile

4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile (PubChem CID 116979999) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile
PubChem CID116979999
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile
SMILESCc1ccc(C2CN(C#N)C(=O)N2)c(C)c1
InChIInChI=1S/C12H13N3O/c1-8-3-4-10(9(2)5-8)11-6-15(7-13)12(16)14-11/h3-5,11H,6H2,1-2H3,(H,14,16)
InChIKeyDJDPJJMPRORDQF-UHFFFAOYSA-N
XLogP1.85
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile?
The IUPAC name of 4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile (CID 116979999) is 4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile?
The canonical SMILES for 4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile is Cc1ccc(C2CN(C#N)C(=O)N2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile?
The InChIKey is DJDPJJMPRORDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-3-4-10(9(2)5-8)11-6-15(7-13)12(16)14-11/h3-5,11H,6H2,1-2H3,(H,14,16).
What are the key properties of 4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile?
4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile has a molecular weight of 215.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile is sourced from PubChem (CID 116979999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).