1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride

C11H15ClN2S — CID 3057297

IUPAC1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride
SMILESCSc1nc2cc(C)c(C)cc2n1C.Cl
InChIInChI=1S/C11H14N2S.ClH/c1-7-5-9-10(6-8(7)2)13(3)11(12-9)14-4;/h5-6H,1-4H3;1H
InChIKeyYWCMHGZTOKRNSS-UHFFFAOYSA-N
MW242.78 g/mol
LogP3.33
Rot. Bonds1

About 1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride

1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride (PubChem CID 3057297) has the molecular formula C11H15ClN2S and a molecular weight of 242.78 g/mol. Its IUPAC name is 1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride
PubChem CID3057297
Molecular FormulaC11H15ClN2S
Molecular Weight242.78 g/mol
Exact Mass242.06
IUPAC Name1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride
SMILESCSc1nc2cc(C)c(C)cc2n1C.Cl
InChIInChI=1S/C11H14N2S.ClH/c1-7-5-9-10(6-8(7)2)13(3)11(12-9)14-4;/h5-6H,1-4H3;1H
InChIKeyYWCMHGZTOKRNSS-UHFFFAOYSA-N
XLogP3.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.78
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride?
The IUPAC name of 1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride (CID 3057297) is 1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride.
What is the SMILES notation for 1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride?
The canonical SMILES for 1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride is CSc1nc2cc(C)c(C)cc2n1C.Cl.
What is the InChIKey of 1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride?
The InChIKey is YWCMHGZTOKRNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S.ClH/c1-7-5-9-10(6-8(7)2)13(3)11(12-9)14-4;/h5-6H,1-4H3;1H.
What are the key properties of 1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride?
1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride has a molecular weight of 242.78 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-2-methylsulfanylbenzimidazole;hydrochloride is sourced from PubChem (CID 3057297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).