(2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one

C15H16N2O2 — CID 59628738

IUPAC(2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one
SMILESCN1C(=O)[C@@H](Cc2ccccc2)N[C@H]1c1ccco1
InChIInChI=1S/C15H16N2O2/c1-17-14(13-8-5-9-19-13)16-12(15(17)18)10-11-6-3-2-4-7-11/h2-9,12,14,16H,10H2,1H3/t12-,14-/m1/s1
InChIKeyAXHYJCVUTFGPER-TZMCWYRMSA-N
MW256.31 g/mol
LogP1.95
Rot. Bonds3

About (2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one

(2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one (PubChem CID 59628738) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one
PubChem CID59628738
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one
SMILESCN1C(=O)[C@@H](Cc2ccccc2)N[C@H]1c1ccco1
InChIInChI=1S/C15H16N2O2/c1-17-14(13-8-5-9-19-13)16-12(15(17)18)10-11-6-3-2-4-7-11/h2-9,12,14,16H,10H2,1H3/t12-,14-/m1/s1
InChIKeyAXHYJCVUTFGPER-TZMCWYRMSA-N
XLogP1.95
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one?
The IUPAC name of (2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one (CID 59628738) is (2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one.
What is the SMILES notation for (2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one?
The canonical SMILES for (2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one is CN1C(=O)[C@@H](Cc2ccccc2)N[C@H]1c1ccco1.
What is the InChIKey of (2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one?
The InChIKey is AXHYJCVUTFGPER-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17-14(13-8-5-9-19-13)16-12(15(17)18)10-11-6-3-2-4-7-11/h2-9,12,14,16H,10H2,1H3/t12-,14-/m1/s1.
What are the key properties of (2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one?
(2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one has a molecular weight of 256.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one is sourced from PubChem (CID 59628738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).