3-benzyl-2,5,5-trimethylimidazolidin-4-one

C13H18N2O — CID 83706003

IUPAC3-benzyl-2,5,5-trimethylimidazolidin-4-one
SMILESCC1NC(C)(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-10-14-13(2,3)12(16)15(10)9-11-7-5-4-6-8-11/h4-8,10,14H,9H2,1-3H3
InChIKeyAXISBWBIJZCTCA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.74
Rot. Bonds2

About 3-benzyl-2,5,5-trimethylimidazolidin-4-one

3-benzyl-2,5,5-trimethylimidazolidin-4-one (PubChem CID 83706003) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-benzyl-2,5,5-trimethylimidazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2,5,5-trimethylimidazolidin-4-one
PubChem CID83706003
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-benzyl-2,5,5-trimethylimidazolidin-4-one
SMILESCC1NC(C)(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-10-14-13(2,3)12(16)15(10)9-11-7-5-4-6-8-11/h4-8,10,14H,9H2,1-3H3
InChIKeyAXISBWBIJZCTCA-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 12032341
1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
CID 64879640
(4S,5R)-1-benzyl-5-methyl-4-phenylimidazolidin-2-one
CID 131844665
1-benzyl-3,3,5-trichloro-4,4-dimethylpyrrolidin-2-one
CID 134847392
(6R)-7-benzyl-6-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 58542438
(5S)-1-benzyl-5-phenylimidazolidine-2,4-dione
CID 28819549
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255
1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64887381
1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64873808
1-benzyl-3,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one
CID 71490768
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,5,5-trimethylimidazolidin-4-one?
The IUPAC name of 3-benzyl-2,5,5-trimethylimidazolidin-4-one (CID 83706003) is 3-benzyl-2,5,5-trimethylimidazolidin-4-one.
What is the SMILES notation for 3-benzyl-2,5,5-trimethylimidazolidin-4-one?
The canonical SMILES for 3-benzyl-2,5,5-trimethylimidazolidin-4-one is CC1NC(C)(C)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2,5,5-trimethylimidazolidin-4-one?
The InChIKey is AXISBWBIJZCTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-14-13(2,3)12(16)15(10)9-11-7-5-4-6-8-11/h4-8,10,14H,9H2,1-3H3.
What are the key properties of 3-benzyl-2,5,5-trimethylimidazolidin-4-one?
3-benzyl-2,5,5-trimethylimidazolidin-4-one has a molecular weight of 218.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,5,5-trimethylimidazolidin-4-one is sourced from PubChem (CID 83706003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).