(5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one

C13H18N2O — CID 59884024

IUPAC(5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one
SMILESCC1(C)NC(=O)[C@](C)(Cc2ccccc2)N1
InChIInChI=1S/C13H18N2O/c1-12(2)14-11(16)13(3,15-12)9-10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3,(H,14,16)/t13-/m0/s1
InChIKeyIVMAYOCMFRXDMB-ZDUSSCGKSA-N
MW218.30 g/mol
LogP1.44
Rot. Bonds2

About (5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one

(5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one (PubChem CID 59884024) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one
PubChem CID59884024
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one
SMILESCC1(C)NC(=O)[C@](C)(Cc2ccccc2)N1
InChIInChI=1S/C13H18N2O/c1-12(2)14-11(16)13(3,15-12)9-10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3,(H,14,16)/t13-/m0/s1
InChIKeyIVMAYOCMFRXDMB-ZDUSSCGKSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one?
The IUPAC name of (5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one (CID 59884024) is (5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one.
What is the SMILES notation for (5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one?
The canonical SMILES for (5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one is CC1(C)NC(=O)[C@](C)(Cc2ccccc2)N1.
What is the InChIKey of (5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one?
The InChIKey is IVMAYOCMFRXDMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N2O/c1-12(2)14-11(16)13(3,15-12)9-10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3,(H,14,16)/t13-/m0/s1.
What are the key properties of (5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one?
(5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one has a molecular weight of 218.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one is sourced from PubChem (CID 59884024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).