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

C17H19N5O3 — CID 72906414

IUPAC3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1nc(C2CCOC2)nn1Cc1ccccc1
InChIInChI=1S/C17H19N5O3/c23-15-8-18-17(24)21(15)10-14-19-16(13-6-7-25-11-13)20-22(14)9-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,24)
InChIKeyLENFNZDTVNKTSR-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.88
Rot. Bonds5

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

3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione (PubChem CID 72906414) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
PubChem CID72906414
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1nc(C2CCOC2)nn1Cc1ccccc1
InChIInChI=1S/C17H19N5O3/c23-15-8-18-17(24)21(15)10-14-19-16(13-6-7-25-11-13)20-22(14)9-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,24)
InChIKeyLENFNZDTVNKTSR-UHFFFAOYSA-N
XLogP0.88
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

5-[2-(2-ethylimidazol-1-yl)ethyl]-1-[(3-methylphenyl)methyl]-3-(oxolan-3-yl)-1,2,4-triazole
CID 72925396
1-[(2-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]azepane
CID 131899572
1-[(4-methylphenyl)methyl]-3-[(3R)-oxolan-3-yl]-5-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 136720969
2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid
CID 134127622
2-[4-[[2-ethyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]pyrimidine
CID 74236088
(4S)-4-[2-benzyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 97451960
1-benzyl-3-[(4-fluorophenoxy)methyl]-5-(oxolan-3-yl)-1,2,4-triazole
CID 131890279
2-[5-[4-(aminomethyl)phenyl]-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]acetic acid
CID 74243117
5-(methylsulfanylmethyl)-3-(oxan-4-yl)-1-(2-phenylethyl)-1,2,4-triazole
CID 72929314
3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
CID 72839150
3-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
CID 72900222
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86989860

Frequently Asked Questions

What is the IUPAC name of 3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione (CID 72906414) is 3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1Cc1nc(C2CCOC2)nn1Cc1ccccc1.
What is the InChIKey of 3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is LENFNZDTVNKTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-15-8-18-17(24)21(15)10-14-19-16(13-6-7-25-11-13)20-22(14)9-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,24).
What are the key properties of 3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 341.37 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72906414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).