6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride

C11H15ClN2OS — CID 5344707

IUPAC6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
SMILESCCOc1ccc2nc(SCC)[nH]c2c1.Cl
InChIInChI=1S/C11H14N2OS.ClH/c1-3-14-8-5-6-9-10(7-8)13-11(12-9)15-4-2;/h5-7H,3-4H2,1-2H3,(H,12,13);1H
InChIKeyCDKXGFXNRMGHNY-UHFFFAOYSA-N
MW258.77 g/mol
LogP3.50
Rot. Bonds4

About 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride

6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride (PubChem CID 5344707) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
PubChem CID5344707
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
SMILESCCOc1ccc2nc(SCC)[nH]c2c1.Cl
InChIInChI=1S/C11H14N2OS.ClH/c1-3-14-8-5-6-9-10(7-8)13-11(12-9)15-4-2;/h5-7H,3-4H2,1-2H3,(H,12,13);1H
InChIKeyCDKXGFXNRMGHNY-UHFFFAOYSA-N
XLogP3.50
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
6-ethoxy-2-(pyrimidin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 99794984
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylethanamine
CID 10314534
6-ethoxy-2-[(4-iodophenyl)methylsulfanyl]-1H-benzimidazole
CID 65491332
2-(3-bromo-2,2-dimethylpropyl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 65000521
6-ethoxy-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 139635715
2-[(2,6-dichlorophenyl)methylsulfanyl]-6-ethoxy-1H-benzimidazole
CID 4666829
2-amino-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 64821084
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 4816437
4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylbutan-2-amine
CID 64621940

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride?
The IUPAC name of 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride (CID 5344707) is 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride?
The canonical SMILES for 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride is CCOc1ccc2nc(SCC)[nH]c2c1.Cl.
What is the InChIKey of 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride?
The InChIKey is CDKXGFXNRMGHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS.ClH/c1-3-14-8-5-6-9-10(7-8)13-11(12-9)15-4-2;/h5-7H,3-4H2,1-2H3,(H,12,13);1H.
What are the key properties of 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride?
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 5344707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).