1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone

C13H16N2O — CID 14265709

IUPAC1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone
SMILESCc1ccc(C(=O)C=C2NCCN2)c(C)c1
InChIInChI=1S/C13H16N2O/c1-9-3-4-11(10(2)7-9)12(16)8-13-14-5-6-15-13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeySGHCTQKBMPETKE-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.52
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone

1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone (PubChem CID 14265709) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone
PubChem CID14265709
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone
SMILESCc1ccc(C(=O)C=C2NCCN2)c(C)c1
InChIInChI=1S/C13H16N2O/c1-9-3-4-11(10(2)7-9)12(16)8-13-14-5-6-15-13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeySGHCTQKBMPETKE-UHFFFAOYSA-N
XLogP1.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethanone, 2-(2-imidazolidinylidene)-1-phenyl-
CID 821546
1-(4-Fluoro-phenyl)-2-imidazolidin-2-ylidene-ethanone
CID 11217994
(2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone
CID 5389116
2,4,5-Trifluoro-6-[1-imidazolidin-2-ylidene-2-(4-methylphenyl)-2-oxoethyl]benzene-1,3-dicarbonitrile
CID 46224710
2,4,5-Trifluoro-6-(1-imidazolidin-2-ylidene-2-oxo-2-phenylethyl)benzene-1,3-dicarbonitrile
CID 46225276
2-(1,3-Diazinan-2-ylidene)-1-(2,4-dimethylphenyl)-3-phenylpropan-1-one
CID 14265716
2-(1,3-Diazepan-2-ylidene)-1-(2,4-dimethylphenyl)-3-phenylpropan-1-one
CID 14265721
Ethyl 4-(2,4-dimethylphenyl)-3-imidazolidin-2-ylidene-4-oxobutanoate
CID 14265727
2-(4-Methylbenzoylmethylene)hexahydropyrimidine
CID 10560683
Ethanone, 2-(2-imidazolidinylidene)-1-(4-methylphenyl)-
CID 10655727
2-(1,3-Diazepan-2-ylidene)-1-(4-methylphenyl)ethanone
CID 14265718
(Z)-3-(2-aminoethylamino)-3-(tert-butylamino)-1-phenylprop-2-en-1-one
CID 20521322

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone (CID 14265709) is 1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone is Cc1ccc(C(=O)C=C2NCCN2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone?
The InChIKey is SGHCTQKBMPETKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-3-4-11(10(2)7-9)12(16)8-13-14-5-6-15-13/h3-4,7-8,14-15H,5-6H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone?
1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone has a molecular weight of 216.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-imidazolidin-2-ylideneethanone is sourced from PubChem (CID 14265709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).