1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one

C16H22N2O2 — CID 59519611

IUPAC1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILESCC1C(c2ccccc2)N(C(=O)C(C)(C)C)C(=O)N1C
InChIInChI=1S/C16H22N2O2/c1-11-13(12-9-7-6-8-10-12)18(15(20)17(11)5)14(19)16(2,3)4/h6-11,13H,1-5H3
InChIKeyDHLBRQDCAZAAOP-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.06
Rot. Bonds1

About 1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one

1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one (PubChem CID 59519611) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
PubChem CID59519611
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILESCC1C(c2ccccc2)N(C(=O)C(C)(C)C)C(=O)N1C
InChIInChI=1S/C16H22N2O2/c1-11-13(12-9-7-6-8-10-12)18(15(20)17(11)5)14(19)16(2,3)4/h6-11,13H,1-5H3
InChIKeyDHLBRQDCAZAAOP-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one (CID 59519611) is 1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one is CC1C(c2ccccc2)N(C(=O)C(C)(C)C)C(=O)N1C.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one?
The InChIKey is DHLBRQDCAZAAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-13(12-9-7-6-8-10-12)18(15(20)17(11)5)14(19)16(2,3)4/h6-11,13H,1-5H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one?
1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 3.06, 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)-3,4-dimethyl-5-phenylimidazolidin-2-one is sourced from PubChem (CID 59519611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).