2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole

C10H14N2S — CID 143899621

IUPAC2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole
SMILESCCSc1nc2c(n1C)=CCCC=2
InChIInChI=1S/C10H14N2S/c1-3-13-10-11-8-6-4-5-7-9(8)12(10)2/h6-7H,3-5H2,1-2H3
InChIKeyGRAZXSPIGLGFQI-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.89
Rot. Bonds2

About 2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole

2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole (PubChem CID 143899621) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole
PubChem CID143899621
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole
SMILESCCSc1nc2c(n1C)=CCCC=2
InChIInChI=1S/C10H14N2S/c1-3-13-10-11-8-6-4-5-7-9(8)12(10)2/h6-7H,3-5H2,1-2H3
InChIKeyGRAZXSPIGLGFQI-UHFFFAOYSA-N
XLogP0.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole 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-Methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole
CID 123909527

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole?
The IUPAC name of 2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole (CID 143899621) is 2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole.
What is the SMILES notation for 2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole?
The canonical SMILES for 2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole is CCSc1nc2c(n1C)=CCCC=2.
What is the InChIKey of 2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole?
The InChIKey is GRAZXSPIGLGFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-13-10-11-8-6-4-5-7-9(8)12(10)2/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole?
2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole has a molecular weight of 194.30 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole is sourced from PubChem (CID 143899621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).