(5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione

C18H20N2O5 — CID 94180443

IUPAC(5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1
InChIInChI=1S/C18H20N2O5/c1-12-5-3-6-14(9-12)25-11-13(21)10-20-16(22)18(2,19-17(20)23)15-7-4-8-24-15/h3-9,13,21H,10-11H2,1-2H3,(H,19,23)/t13-,18-/m0/s1
InChIKeyZXRAZLQUPRCJJX-UGSOOPFHSA-N
MW344.37 g/mol
LogP1.79
Rot. Bonds6

About (5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione (PubChem CID 94180443) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
PubChem CID94180443
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1
InChIInChI=1S/C18H20N2O5/c1-12-5-3-6-14(9-12)25-11-13(21)10-20-16(22)18(2,19-17(20)23)15-7-4-8-24-15/h3-9,13,21H,10-11H2,1-2H3,(H,19,23)/t13-,18-/m0/s1
InChIKeyZXRAZLQUPRCJJX-UGSOOPFHSA-N
XLogP1.79
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18097416
3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 85456346
3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5307270
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
5-(furan-2-yl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556335
5-(furan-2-yl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 46640128
3-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 45354126
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 47021034
(5R)-3-[(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31566247
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51259022
(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385595
(5S)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385593

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione (CID 94180443) is (5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione is Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1.
What is the InChIKey of (5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZXRAZLQUPRCJJX-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12-5-3-6-14(9-12)25-11-13(21)10-20-16(22)18(2,19-17(20)23)15-7-4-8-24-15/h3-9,13,21H,10-11H2,1-2H3,(H,19,23)/t13-,18-/m0/s1.
What are the key properties of (5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 94180443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).