5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one

C17H22N2O3 — CID 123374674

IUPAC5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one
SMILESCN1C(O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1CCC1
InChIInChI=1S/C17H22N2O3/c1-17(13-9-6-10-13)15(21)19(16(22)18(17)2)11-14(20)12-7-4-3-5-8-12/h3-5,7-8,13,16,22H,6,9-11H2,1-2H3
InChIKeyLDZRSCSYHXTBGP-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.48
Rot. Bonds4

About 5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one

5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one (PubChem CID 123374674) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one.

Molecular Properties

Compound Name5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one
PubChem CID123374674
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one
SMILESCN1C(O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1CCC1
InChIInChI=1S/C17H22N2O3/c1-17(13-9-6-10-13)15(21)19(16(22)18(17)2)11-14(20)12-7-4-3-5-8-12/h3-5,7-8,13,16,22H,6,9-11H2,1-2H3
InChIKeyLDZRSCSYHXTBGP-UHFFFAOYSA-N
XLogP1.48
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one?
The IUPAC name of 5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one (CID 123374674) is 5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one.
What is the SMILES notation for 5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one?
The canonical SMILES for 5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one is CN1C(O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1CCC1.
What is the InChIKey of 5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one?
The InChIKey is LDZRSCSYHXTBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(13-9-6-10-13)15(21)19(16(22)18(17)2)11-14(20)12-7-4-3-5-8-12/h3-5,7-8,13,16,22H,6,9-11H2,1-2H3.
What are the key properties of 5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one?
5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one has a molecular weight of 302.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one is sourced from PubChem (CID 123374674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).