1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one

C11H13N3O2S — CID 43299355

IUPAC1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one
SMILESNc1ccc(SCC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C11H13N3O2S/c12-8-1-3-9(4-2-8)17-7-10(15)14-6-5-13-11(14)16/h1-4H,5-7,12H2,(H,13,16)
InChIKeyGVJOHRBVKLSWEH-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.91
Rot. Bonds3

About 1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one

1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one (PubChem CID 43299355) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one
PubChem CID43299355
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one
SMILESNc1ccc(SCC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C11H13N3O2S/c12-8-1-3-9(4-2-8)17-7-10(15)14-6-5-13-11(14)16/h1-4H,5-7,12H2,(H,13,16)
InChIKeyGVJOHRBVKLSWEH-UHFFFAOYSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one (CID 43299355) is 1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one is Nc1ccc(SCC(=O)N2CCNC2=O)cc1.
What is the InChIKey of 1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one?
The InChIKey is GVJOHRBVKLSWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-8-1-3-9(4-2-8)17-7-10(15)14-6-5-13-11(14)16/h1-4H,5-7,12H2,(H,13,16).
What are the key properties of 1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one?
1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one has a molecular weight of 251.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one is sourced from PubChem (CID 43299355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).