1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one

C11H14ClN3OS — CID 79528744

IUPAC1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one
SMILESNc1ccc(Cl)cc1SCCN1CCNC1=O
InChIInChI=1S/C11H14ClN3OS/c12-8-1-2-9(13)10(7-8)17-6-5-15-4-3-14-11(15)16/h1-2,7H,3-6,13H2,(H,14,16)
InChIKeyURZMPVJQJBUGLE-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.04
Rot. Bonds4

About 1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one

1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one (PubChem CID 79528744) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one
PubChem CID79528744
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one
SMILESNc1ccc(Cl)cc1SCCN1CCNC1=O
InChIInChI=1S/C11H14ClN3OS/c12-8-1-2-9(13)10(7-8)17-6-5-15-4-3-14-11(15)16/h1-2,7H,3-6,13H2,(H,14,16)
InChIKeyURZMPVJQJBUGLE-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one (CID 79528744) is 1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one is Nc1ccc(Cl)cc1SCCN1CCNC1=O.
What is the InChIKey of 1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one?
The InChIKey is URZMPVJQJBUGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c12-8-1-2-9(13)10(7-8)17-6-5-15-4-3-14-11(15)16/h1-2,7H,3-6,13H2,(H,14,16).
What are the key properties of 1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one?
1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one has a molecular weight of 271.77 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one is sourced from PubChem (CID 79528744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).