(2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one

C15H22N2O2 — CID 69326058

IUPAC(2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one
SMILESCC(C)(C)[C@H]1N[C@@H](Cc2ccccc2)C(=O)N1CO
InChIInChI=1S/C15H22N2O2/c1-15(2,3)14-16-12(13(19)17(14)10-18)9-11-7-5-4-6-8-11/h4-8,12,14,16,18H,9-10H2,1-3H3/t12-,14-/m0/s1
InChIKeyRWDBFZAHMHSRHX-JSGCOSHPSA-N
MW262.35 g/mol
LogP1.35
Rot. Bonds3

About (2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one

(2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one (PubChem CID 69326058) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one.

Molecular Properties

Compound Name(2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one
PubChem CID69326058
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one
SMILESCC(C)(C)[C@H]1N[C@@H](Cc2ccccc2)C(=O)N1CO
InChIInChI=1S/C15H22N2O2/c1-15(2,3)14-16-12(13(19)17(14)10-18)9-11-7-5-4-6-8-11/h4-8,12,14,16,18H,9-10H2,1-3H3/t12-,14-/m0/s1
InChIKeyRWDBFZAHMHSRHX-JSGCOSHPSA-N
XLogP1.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one?
The IUPAC name of (2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one (CID 69326058) is (2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one.
What is the SMILES notation for (2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one?
The canonical SMILES for (2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one is CC(C)(C)[C@H]1N[C@@H](Cc2ccccc2)C(=O)N1CO.
What is the InChIKey of (2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one?
The InChIKey is RWDBFZAHMHSRHX-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)14-16-12(13(19)17(14)10-18)9-11-7-5-4-6-8-11/h4-8,12,14,16,18H,9-10H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of (2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one?
(2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one has a molecular weight of 262.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one is sourced from PubChem (CID 69326058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).