(2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one

C17H18N2O2 — CID 59883976

IUPAC(2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one
SMILESO=C1[C@H](Cc2ccccc2)N[C@@H](Cc2ccccc2)N1O
InChIInChI=1S/C17H18N2O2/c20-17-15(11-13-7-3-1-4-8-13)18-16(19(17)21)12-14-9-5-2-6-10-14/h1-10,15-16,18,21H,11-12H2/t15-,16+/m0/s1
InChIKeyDUXRMYXETCELLQ-JKSUJKDBSA-N
MW282.34 g/mol
LogP1.99
Rot. Bonds4

About (2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one

(2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one (PubChem CID 59883976) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one.

Molecular Properties

Compound Name(2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one
PubChem CID59883976
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one
SMILESO=C1[C@H](Cc2ccccc2)N[C@@H](Cc2ccccc2)N1O
InChIInChI=1S/C17H18N2O2/c20-17-15(11-13-7-3-1-4-8-13)18-16(19(17)21)12-14-9-5-2-6-10-14/h1-10,15-16,18,21H,11-12H2/t15-,16+/m0/s1
InChIKeyDUXRMYXETCELLQ-JKSUJKDBSA-N
XLogP1.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one?
The IUPAC name of (2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one (CID 59883976) is (2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one.
What is the SMILES notation for (2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one?
The canonical SMILES for (2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one is O=C1[C@H](Cc2ccccc2)N[C@@H](Cc2ccccc2)N1O.
What is the InChIKey of (2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one?
The InChIKey is DUXRMYXETCELLQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17-15(11-13-7-3-1-4-8-13)18-16(19(17)21)12-14-9-5-2-6-10-14/h1-10,15-16,18,21H,11-12H2/t15-,16+/m0/s1.
What are the key properties of (2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one?
(2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one has a molecular weight of 282.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one is sourced from PubChem (CID 59883976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).