3-benzyl-2,2-dimethylimidazolidin-4-one

C12H16N2O — CID 57433089

IUPAC3-benzyl-2,2-dimethylimidazolidin-4-one
SMILESCC1(C)NCC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H16N2O/c1-12(2)13-8-11(15)14(12)9-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChIKeyPKHOFVIMUGPCRI-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.35
Rot. Bonds2

About 3-benzyl-2,2-dimethylimidazolidin-4-one

3-benzyl-2,2-dimethylimidazolidin-4-one (PubChem CID 57433089) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-benzyl-2,2-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2,2-dimethylimidazolidin-4-one
PubChem CID57433089
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-benzyl-2,2-dimethylimidazolidin-4-one
SMILESCC1(C)NCC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H16N2O/c1-12(2)13-8-11(15)14(12)9-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChIKeyPKHOFVIMUGPCRI-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,2-dimethylimidazolidin-4-one?
The IUPAC name of 3-benzyl-2,2-dimethylimidazolidin-4-one (CID 57433089) is 3-benzyl-2,2-dimethylimidazolidin-4-one.
What is the SMILES notation for 3-benzyl-2,2-dimethylimidazolidin-4-one?
The canonical SMILES for 3-benzyl-2,2-dimethylimidazolidin-4-one is CC1(C)NCC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2,2-dimethylimidazolidin-4-one?
The InChIKey is PKHOFVIMUGPCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2)13-8-11(15)14(12)9-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3.
What are the key properties of 3-benzyl-2,2-dimethylimidazolidin-4-one?
3-benzyl-2,2-dimethylimidazolidin-4-one has a molecular weight of 204.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,2-dimethylimidazolidin-4-one is sourced from PubChem (CID 57433089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).