5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione

C21H24N2O3 — CID 139010350

IUPAC5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione
SMILESCC(CCc1ccc(O)cc1)N1C(=O)C(Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C21H24N2O3/c1-15(8-9-16-10-12-18(24)13-11-16)23-20(25)19(22(2)21(23)26)14-17-6-4-3-5-7-17/h3-7,10-13,15,19,24H,8-9,14H2,1-2H3
InChIKeyYLHMHKZFXCCEEN-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.22
Rot. Bonds6

About 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione

5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione (PubChem CID 139010350) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione
PubChem CID139010350
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione
SMILESCC(CCc1ccc(O)cc1)N1C(=O)C(Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C21H24N2O3/c1-15(8-9-16-10-12-18(24)13-11-16)23-20(25)19(22(2)21(23)26)14-17-6-4-3-5-7-17/h3-7,10-13,15,19,24H,8-9,14H2,1-2H3
InChIKeyYLHMHKZFXCCEEN-UHFFFAOYSA-N
XLogP3.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione (CID 139010350) is 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione is CC(CCc1ccc(O)cc1)N1C(=O)C(Cc2ccccc2)N(C)C1=O.
What is the InChIKey of 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione?
The InChIKey is YLHMHKZFXCCEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(8-9-16-10-12-18(24)13-11-16)23-20(25)19(22(2)21(23)26)14-17-6-4-3-5-7-17/h3-7,10-13,15,19,24H,8-9,14H2,1-2H3.
What are the key properties of 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione?
5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione has a molecular weight of 352.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 139010350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).