5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one

C18H26N2O — CID 83245806

IUPAC5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one
SMILESCCC(C)C1NC(c2ccccc2)N(C2CC2(C)C)C1=O
InChIInChI=1S/C18H26N2O/c1-5-12(2)15-17(21)20(14-11-18(14,3)4)16(19-15)13-9-7-6-8-10-13/h6-10,12,14-16,19H,5,11H2,1-4H3
InChIKeyBETXUZCVVLQJPJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.33
Rot. Bonds4

About 5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one

5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one (PubChem CID 83245806) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one
PubChem CID83245806
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one
SMILESCCC(C)C1NC(c2ccccc2)N(C2CC2(C)C)C1=O
InChIInChI=1S/C18H26N2O/c1-5-12(2)15-17(21)20(14-11-18(14,3)4)16(19-15)13-9-7-6-8-10-13/h6-10,12,14-16,19H,5,11H2,1-4H3
InChIKeyBETXUZCVVLQJPJ-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-(4-chlorophenyl)-3-cyclopropylimidazolidin-4-one
CID 83242460
3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83247393
3-(2,2-dimethylcyclopropyl)-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83247124
3-cyclohexyl-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83246962
5-benzyl-3-(2,2-dimethylcyclopropyl)-2-propan-2-ylimidazolidin-4-one
CID 83247652
5-butan-2-yl-3-cyclobutyl-2-thiophen-3-ylimidazolidin-4-one
CID 83255478
5-butan-2-yl-3-(2-methylcyclopropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83254989
5-butan-2-yl-3-(2,2-dimethylcyclopentyl)-2-ethylimidazolidin-4-one
CID 83271073
3-(2-methylbutyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83253783
(3S,6S)-3-[(2S)-butan-2-yl]-6-phenylpiperazine-2,5-dione
CID 131938649
3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83271007
5-butan-2-yl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
CID 83262375

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one (CID 83245806) is 5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one is CCC(C)C1NC(c2ccccc2)N(C2CC2(C)C)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one?
The InChIKey is BETXUZCVVLQJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-12(2)15-17(21)20(14-11-18(14,3)4)16(19-15)13-9-7-6-8-10-13/h6-10,12,14-16,19H,5,11H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one?
5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one has a molecular weight of 286.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(2,2-dimethylcyclopropyl)-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83245806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).