4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one

C13H17N3OS — CID 138388758

IUPAC4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1c1ccc(SC)cc1
InChIInChI=1S/C13H17N3OS/c1-3-8-16-11(12(14)15-13(16)17)9-4-6-10(18-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H2,14,15,17)
InChIKeyBZENJOYIYYIRAF-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.86
Rot. Bonds4

About 4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one

4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one (PubChem CID 138388758) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one
PubChem CID138388758
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1c1ccc(SC)cc1
InChIInChI=1S/C13H17N3OS/c1-3-8-16-11(12(14)15-13(16)17)9-4-6-10(18-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H2,14,15,17)
InChIKeyBZENJOYIYYIRAF-UHFFFAOYSA-N
XLogP2.86
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one?
The IUPAC name of 4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one (CID 138388758) is 4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one.
What is the SMILES notation for 4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one?
The canonical SMILES for 4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CCC)C1c1ccc(SC)cc1.
What is the InChIKey of 4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one?
The InChIKey is BZENJOYIYYIRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-8-16-11(12(14)15-13(16)17)9-4-6-10(18-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H2,14,15,17).
What are the key properties of 4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one?
4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one has a molecular weight of 263.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one is sourced from PubChem (CID 138388758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).