1-(3-ethylsulfanylpropyl)benzimidazole

C12H16N2S — CID 115650886

IUPAC1-(3-ethylsulfanylpropyl)benzimidazole
SMILESCCSCCCn1cnc2ccccc21
InChIInChI=1S/C12H16N2S/c1-2-15-9-5-8-14-10-13-11-6-3-4-7-12(11)14/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyFOFFKGCWBQKHDW-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.18
Rot. Bonds5

About 1-(3-ethylsulfanylpropyl)benzimidazole

1-(3-ethylsulfanylpropyl)benzimidazole (PubChem CID 115650886) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(3-ethylsulfanylpropyl)benzimidazole.

Molecular Properties

Compound Name1-(3-ethylsulfanylpropyl)benzimidazole
PubChem CID115650886
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-(3-ethylsulfanylpropyl)benzimidazole
SMILESCCSCCCn1cnc2ccccc21
InChIInChI=1S/C12H16N2S/c1-2-15-9-5-8-14-10-13-11-6-3-4-7-12(11)14/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyFOFFKGCWBQKHDW-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-ethylsulfanylpropyl)benzimidazole 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

1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672
bis(1-butylbenzimidazole);ethane
CID 142164287
1-(3-ethylsulfanylpropyl)-5,6-dimethylbenzimidazole
CID 115650935
1-(butylsulfanylmethyl)benzimidazole
CID 4304990
N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine
CID 146046144
3-(benzimidazol-1-yl)propyl N'-ethylcarbamimidothioate
CID 134202281
1-[3-(4-chlorophenyl)sulfanylpropyl]benzimidazole
CID 2966362
1-(6-chlorohexyl)benzimidazole
CID 62228178
3-(benzimidazol-1-yl)propyl-trichlorosilane
CID 59630441
1-(18-phenyloctadecyl)benzimidazole
CID 67925718
1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16994975
3-(benzimidazol-1-yl)propyl-diethoxy-phenylsilane
CID 59630445

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylpropyl)benzimidazole?
The IUPAC name of 1-(3-ethylsulfanylpropyl)benzimidazole (CID 115650886) is 1-(3-ethylsulfanylpropyl)benzimidazole.
What is the SMILES notation for 1-(3-ethylsulfanylpropyl)benzimidazole?
The canonical SMILES for 1-(3-ethylsulfanylpropyl)benzimidazole is CCSCCCn1cnc2ccccc21.
What is the InChIKey of 1-(3-ethylsulfanylpropyl)benzimidazole?
The InChIKey is FOFFKGCWBQKHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-15-9-5-8-14-10-13-11-6-3-4-7-12(11)14/h3-4,6-7,10H,2,5,8-9H2,1H3.
What are the key properties of 1-(3-ethylsulfanylpropyl)benzimidazole?
1-(3-ethylsulfanylpropyl)benzimidazole has a molecular weight of 220.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylpropyl)benzimidazole is sourced from PubChem (CID 115650886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).