5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one

C18H26N2O — CID 83247652

IUPAC5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(Cc2ccccc2)C(=O)N1C1CC1(C)C
InChIInChI=1S/C18H26N2O/c1-12(2)16-19-14(10-13-8-6-5-7-9-13)17(21)20(16)15-11-18(15,3)4/h5-9,12,14-16,19H,10-11H2,1-4H3
InChIKeyFNHXBBJJYKAWKX-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.81
Rot. Bonds4

About 5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one

5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83247652) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83247652
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(Cc2ccccc2)C(=O)N1C1CC1(C)C
InChIInChI=1S/C18H26N2O/c1-12(2)16-19-14(10-13-8-6-5-7-9-13)17(21)20(16)15-11-18(15,3)4/h5-9,12,14-16,19H,10-11H2,1-4H3
InChIKeyFNHXBBJJYKAWKX-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylcyclopropyl)-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83247388
5-benzyl-3-butan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83239760
5-benzyl-3-(2-methylsulfanylethyl)-2-propan-2-ylimidazolidin-4-one
CID 83258033
5-benzyl-2-methyl-3-(2-methylcyclopropyl)imidazolidin-4-one
CID 83254666
5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one
CID 83245806
5-benzyl-3-cyclopropyl-2-ethylimidazolidin-4-one
CID 83242720
5-benzyl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83252653
5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one
CID 83253722
5-benzyl-3-cyclobutyl-2-propylimidazolidin-4-one
CID 83255145
5-benzyl-2-methyl-3-(2-methyloxolan-3-yl)imidazolidin-4-one
CID 83260373
5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one
CID 83238383
(2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one
CID 59883976

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one (CID 83247652) is 5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one is CC(C)C1NC(Cc2ccccc2)C(=O)N1C1CC1(C)C.
What is the InChIKey of 5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is FNHXBBJJYKAWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)16-19-14(10-13-8-6-5-7-9-13)17(21)20(16)15-11-18(15,3)4/h5-9,12,14-16,19H,10-11H2,1-4H3.
What are the key properties of 5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one?
5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 286.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83247652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).