3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

C18H22N4O3 — CID 56812667

IUPAC3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1(C)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O
InChIInChI=1S/C18H22N4O3/c1-12(2)10-18(3)16(23)22(17(24)20-18)11-15-19-14(21-25-15)9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,20,24)
InChIKeyAGUHWTGBEGEQFV-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.52
Rot. Bonds6

About 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 56812667) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID56812667
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1(C)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O
InChIInChI=1S/C18H22N4O3/c1-12(2)10-18(3)16(23)22(17(24)20-18)11-15-19-14(21-25-15)9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,20,24)
InChIKeyAGUHWTGBEGEQFV-UHFFFAOYSA-N
XLogP2.52
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 56812667) is 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CC1(C)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O.
What is the InChIKey of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is AGUHWTGBEGEQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(2)10-18(3)16(23)22(17(24)20-18)11-15-19-14(21-25-15)9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,20,24).
What are the key properties of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56812667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).