2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride

C10H13ClN2S — CID 2806593

IUPAC2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc(CSC2=NCCN2)cc1
InChIInChI=1S/C10H12N2S.ClH/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H
InChIKeyNBMZJZXZDLSANU-UHFFFAOYSA-N
MW228.75 g/mol
LogP2.30
Rot. Bonds2

About 2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride

2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 2806593) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID2806593
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc(CSC2=NCCN2)cc1
InChIInChI=1S/C10H12N2S.ClH/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H
InChIKeyNBMZJZXZDLSANU-UHFFFAOYSA-N
XLogP2.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride 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-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride (CID 2806593) is 2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride is Cl.c1ccc(CSC2=NCCN2)cc1.
What is the InChIKey of 2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is NBMZJZXZDLSANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.ClH/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H.
What are the key properties of 2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride?
2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 228.75 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 2806593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).