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

C20H18N4O3 — CID 56684743

IUPAC1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)no1
InChIInChI=1S/C20H18N4O3/c1-14-21-17(22-27-14)13-24-19(25)18(16-10-6-3-7-11-16)23(20(24)26)12-15-8-4-2-5-9-15/h2-11,18H,12-13H2,1H3
InChIKeyDIERVERWJABEPD-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.08
Rot. Bonds5

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

1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 56684743) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID56684743
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)no1
InChIInChI=1S/C20H18N4O3/c1-14-21-17(22-27-14)13-24-19(25)18(16-10-6-3-7-11-16)23(20(24)26)12-15-8-4-2-5-9-15/h2-11,18H,12-13H2,1H3
InChIKeyDIERVERWJABEPD-UHFFFAOYSA-N
XLogP3.08
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
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 1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione (CID 56684743) is 1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione is Cc1nc(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)no1.
What is the InChIKey of 1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is DIERVERWJABEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-14-21-17(22-27-14)13-24-19(25)18(16-10-6-3-7-11-16)23(20(24)26)12-15-8-4-2-5-9-15/h2-11,18H,12-13H2,1H3.
What are the key properties of 1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione?
1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 362.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 56684743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).