5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole

C10H9ClN2S — CID 2743615

IUPAC5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole
SMILESCSc1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C10H9ClN2S/c1-14-10-12-6-9(13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)
InChIKeyPLMBPRNPVNHZRQ-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.45
Rot. Bonds2

About 5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole

5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole (PubChem CID 2743615) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole
PubChem CID2743615
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole
SMILESCSc1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C10H9ClN2S/c1-14-10-12-6-9(13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)
InChIKeyPLMBPRNPVNHZRQ-UHFFFAOYSA-N
XLogP3.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole 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 5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole?
The IUPAC name of 5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole (CID 2743615) is 5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole is CSc1ncc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole?
The InChIKey is PLMBPRNPVNHZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-14-10-12-6-9(13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13).
What are the key properties of 5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole?
5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole has a molecular weight of 224.72 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methylsulfanyl-1H-imidazole is sourced from PubChem (CID 2743615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).