1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one

C14H18N2O2 — CID 59647537

IUPAC1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-14(2,3)12(17)16-10-9-15(13(16)18)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyWJSZJVOQBOCHGP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.50
Rot. Bonds1

About 1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one

1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one (PubChem CID 59647537) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one
PubChem CID59647537
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-14(2,3)12(17)16-10-9-15(13(16)18)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyWJSZJVOQBOCHGP-UHFFFAOYSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylacetylglycine Dimethylamide
CID 19536
1-Phenylimidazolidine-2,4-dione
CID 570576
1-Phenylimidazolidine-2,4,5-trione
CID 577259
2-Imidazolidinone, 1,3-diphenyl-
CID 975958
3-Phenylimidazolidine-2,4-dione
CID 227930
1-Phenylimidazolidin-2-one
CID 255273
2-Methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 2732733
1-Acetyl-3-phenylimidazolidine-2,4-dione
CID 890978
Azolimine
CID 38684
5-Methyl-3-phenylimidazolidine-2,4-dione
CID 5146782
2-Ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 6539174
1,2-Dimethyl-4-Phenyl-1,2,4-triazolidine-3,5-dione
CID 6539163

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one (CID 59647537) is 1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one is CC(C)(C)C(=O)N1CCN(c2ccccc2)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one?
The InChIKey is WJSZJVOQBOCHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,3)12(17)16-10-9-15(13(16)18)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one?
1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one is sourced from PubChem (CID 59647537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).