2-methyl-2-methylsulfanylbenzimidazole

C9H10N2S — CID 173117953

IUPAC2-methyl-2-methylsulfanylbenzimidazole
SMILESCSC1(C)N=c2ccccc2=N1
InChIInChI=1S/C9H10N2S/c1-9(12-2)10-7-5-3-4-6-8(7)11-9/h3-6H,1-2H3
InChIKeyWFGTUWXMNOWRLY-UHFFFAOYSA-N
MW178.26 g/mol
LogP0.98
Rot. Bonds1

About 2-methyl-2-methylsulfanylbenzimidazole

2-methyl-2-methylsulfanylbenzimidazole (PubChem CID 173117953) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanylbenzimidazole.

Molecular Properties

Compound Name2-methyl-2-methylsulfanylbenzimidazole
PubChem CID173117953
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2-methyl-2-methylsulfanylbenzimidazole
SMILESCSC1(C)N=c2ccccc2=N1
InChIInChI=1S/C9H10N2S/c1-9(12-2)10-7-5-3-4-6-8(7)11-9/h3-6H,1-2H3
InChIKeyWFGTUWXMNOWRLY-UHFFFAOYSA-N
XLogP0.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanylbenzimidazole?
The IUPAC name of 2-methyl-2-methylsulfanylbenzimidazole (CID 173117953) is 2-methyl-2-methylsulfanylbenzimidazole.
What is the SMILES notation for 2-methyl-2-methylsulfanylbenzimidazole?
The canonical SMILES for 2-methyl-2-methylsulfanylbenzimidazole is CSC1(C)N=c2ccccc2=N1.
What is the InChIKey of 2-methyl-2-methylsulfanylbenzimidazole?
The InChIKey is WFGTUWXMNOWRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-9(12-2)10-7-5-3-4-6-8(7)11-9/h3-6H,1-2H3.
What are the key properties of 2-methyl-2-methylsulfanylbenzimidazole?
2-methyl-2-methylsulfanylbenzimidazole has a molecular weight of 178.26 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanylbenzimidazole is sourced from PubChem (CID 173117953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).