N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide

C11H12ClN3OS — CID 9179342

IUPACN-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCN1)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3OS/c12-8-1-3-9(4-2-8)15-10(16)7-17-11-13-5-6-14-11/h1-4H,5-7H2,(H,13,14)(H,15,16)
InChIKeyGWIWTBCBMURHDT-UHFFFAOYSA-N
MW269.76 g/mol
LogP1.97
Rot. Bonds3

About N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide

N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide (PubChem CID 9179342) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
PubChem CID9179342
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC NameN-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCN1)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3OS/c12-8-1-3-9(4-2-8)15-10(16)7-17-11-13-5-6-14-11/h1-4H,5-7H2,(H,13,14)(H,15,16)
InChIKeyGWIWTBCBMURHDT-UHFFFAOYSA-N
XLogP1.97
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide 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 N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide (CID 9179342) is N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide is O=C(CSC1=NCCN1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The InChIKey is GWIWTBCBMURHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c12-8-1-3-9(4-2-8)15-10(16)7-17-11-13-5-6-14-11/h1-4H,5-7H2,(H,13,14)(H,15,16).
What are the key properties of N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide has a molecular weight of 269.76 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 9179342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).