2-benzylsulfanyl-1-methylimidazole

C11H12N2S — CID 563318

IUPAC2-benzylsulfanyl-1-methylimidazole
SMILESCn1ccnc1SCc1ccccc1
InChIInChI=1S/C11H12N2S/c1-13-8-7-12-11(13)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyCXQXVFWIVHBKPJ-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.71
Rot. Bonds3

About 2-benzylsulfanyl-1-methylimidazole

2-benzylsulfanyl-1-methylimidazole (PubChem CID 563318) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-methylimidazole.

Molecular Properties

Compound Name2-benzylsulfanyl-1-methylimidazole
PubChem CID563318
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name2-benzylsulfanyl-1-methylimidazole
SMILESCn1ccnc1SCc1ccccc1
InChIInChI=1S/C11H12N2S/c1-13-8-7-12-11(13)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyCXQXVFWIVHBKPJ-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfanyl-1-methylimidazole with MolForge

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

Launch Full Analysis

Related Compounds

Imidazole, 1-methyl-2-[2-(4-methylphenylsulfonyl)ethylthio]-
CID 588101
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 788156
1-Phenethylimidazole
CID 10219621
1-(3-Phenylpropyl)-1H-imidazole
CID 9989980
2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide
CID 747727
n-Benzyl-1-(1h-imidazol-1-yl)-n-methylmethanamine
CID 272244
1-(4-phenylbutyl)-1H-imidazole
CID 21990225
2-[(E)-3-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)sulfanylprop-2-enylidene]propanedinitrile
CID 736814
1-(2-Phenylethynyl)imidazole
CID 22271713
1-(6-Phenylhexyl)imidazole
CID 53746421
1-(2-Benzylsulfanylethyl)imidazole
CID 58580501
1H-Imidazole, 1-(2-phenylethenyl)-, (E)-
CID 5374234

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-methylimidazole?
The IUPAC name of 2-benzylsulfanyl-1-methylimidazole (CID 563318) is 2-benzylsulfanyl-1-methylimidazole.
What is the SMILES notation for 2-benzylsulfanyl-1-methylimidazole?
The canonical SMILES for 2-benzylsulfanyl-1-methylimidazole is Cn1ccnc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-1-methylimidazole?
The InChIKey is CXQXVFWIVHBKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-13-8-7-12-11(13)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 2-benzylsulfanyl-1-methylimidazole?
2-benzylsulfanyl-1-methylimidazole has a molecular weight of 204.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-methylimidazole is sourced from PubChem (CID 563318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).