(2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one

C19H20N2O — CID 46192062

IUPAC(2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one
SMILESC=C(c1ccccc1)[C@H]1N[C@@H](Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C19H20N2O/c1-14(16-11-7-4-8-12-16)18-20-17(19(22)21(18)2)13-15-9-5-3-6-10-15/h3-12,17-18,20H,1,13H2,2H3/t17-,18-/m0/s1
InChIKeyRZKGXCLTDXQUJV-ROUUACIJSA-N
MW292.38 g/mol
LogP2.70
Rot. Bonds4

About (2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one

(2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one (PubChem CID 46192062) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one.

Molecular Properties

Compound Name(2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one
PubChem CID46192062
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one
SMILESC=C(c1ccccc1)[C@H]1N[C@@H](Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C19H20N2O/c1-14(16-11-7-4-8-12-16)18-20-17(19(22)21(18)2)13-15-9-5-3-6-10-15/h3-12,17-18,20H,1,13H2,2H3/t17-,18-/m0/s1
InChIKeyRZKGXCLTDXQUJV-ROUUACIJSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one?
The IUPAC name of (2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one (CID 46192062) is (2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one.
What is the SMILES notation for (2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one?
The canonical SMILES for (2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one is C=C(c1ccccc1)[C@H]1N[C@@H](Cc2ccccc2)C(=O)N1C.
What is the InChIKey of (2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one?
The InChIKey is RZKGXCLTDXQUJV-ROUUACIJSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(16-11-7-4-8-12-16)18-20-17(19(22)21(18)2)13-15-9-5-3-6-10-15/h3-12,17-18,20H,1,13H2,2H3/t17-,18-/m0/s1.
What are the key properties of (2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one?
(2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one has a molecular weight of 292.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-benzyl-3-methyl-2-(1-phenylethenyl)imidazolidin-4-one is sourced from PubChem (CID 46192062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).