(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione

C15H14N2O3 — CID 11196501

IUPAC(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C15H14N2O3/c18-14-13(9-11-5-2-1-3-6-11)16-15(19)17(14)10-12-7-4-8-20-12/h1-8,13H,9-10H2,(H,16,19)/t13-/m0/s1
InChIKeyKJHMSMOEBNFEDR-ZDUSSCGKSA-N
MW270.29 g/mol
LogP1.94
Rot. Bonds4

About (5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione

(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 11196501) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID11196501
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C15H14N2O3/c18-14-13(9-11-5-2-1-3-6-11)16-15(19)17(14)10-12-7-4-8-20-12/h1-8,13H,9-10H2,(H,16,19)/t13-/m0/s1
InChIKeyKJHMSMOEBNFEDR-ZDUSSCGKSA-N
XLogP1.94
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
CID 795693
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 110209925
N-(1-benzylpiperidin-4-yl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531749
5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 110186788
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110210427
(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 99870969
N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639661
2-benzyl-4-(furan-2-ylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 42823504
(5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione
CID 124863015
(5R)-5-benzyl-3-(morpholin-4-ylmethyl)imidazolidine-2,4-dione
CID 31263332
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 112774880

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione (CID 11196501) is (5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione is O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1ccco1.
What is the InChIKey of (5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is KJHMSMOEBNFEDR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14-13(9-11-5-2-1-3-6-11)16-15(19)17(14)10-12-7-4-8-20-12/h1-8,13H,9-10H2,(H,16,19)/t13-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione?
(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 11196501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).