2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide

C12H12ClN3OS — CID 7151082

IUPAC2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3OS/c13-10-3-1-9(2-4-10)7-16-6-5-15-12(16)18-8-11(14)17/h1-6H,7-8H2,(H2,14,17)
InChIKeyPHYZZJFZNZSDMY-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.16
Rot. Bonds5

About 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide

2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7151082) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7151082
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3OS/c13-10-3-1-9(2-4-10)7-16-6-5-15-12(16)18-8-11(14)17/h1-6H,7-8H2,(H2,14,17)
InChIKeyPHYZZJFZNZSDMY-UHFFFAOYSA-N
XLogP2.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide 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 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 7151082) is 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide is NC(=O)CSc1nccn1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is PHYZZJFZNZSDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c13-10-3-1-9(2-4-10)7-16-6-5-15-12(16)18-8-11(14)17/h1-6H,7-8H2,(H2,14,17).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 281.77 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).