6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid

C11H15ClN2O2S — CID 159344555

IUPAC6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
SMILESCCOc1ccc2nc(SCC)[nH]c2c1.OCl
InChIInChI=1S/C11H14N2OS.ClHO/c1-3-14-8-5-6-9-10(7-8)13-11(12-9)15-4-2;1-2/h5-7H,3-4H2,1-2H3,(H,12,13);2H
InChIKeyLGOBMYGBXINGFV-UHFFFAOYSA-N
MW274.77 g/mol
LogP3.21
Rot. Bonds4

About 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid

6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid (PubChem CID 159344555) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid.

Molecular Properties

Compound Name6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
PubChem CID159344555
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
SMILESCCOc1ccc2nc(SCC)[nH]c2c1.OCl
InChIInChI=1S/C11H14N2OS.ClHO/c1-3-14-8-5-6-9-10(7-8)13-11(12-9)15-4-2;1-2/h5-7H,3-4H2,1-2H3,(H,12,13);2H
InChIKeyLGOBMYGBXINGFV-UHFFFAOYSA-N
XLogP3.21
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
6-ethoxy-2-(pyrimidin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 99794984
2-amino-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 64821084
2-[(2,6-dichlorophenyl)methylsulfanyl]-6-ethoxy-1H-benzimidazole
CID 4666829
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 4816437
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylethanamine
CID 10314534
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]prop-1-en-2-yl-trifluoroboranuide
CID 106746902
1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
CID 60670681
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N'-hydroxypropanimidamide
CID 43187638
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(ethylamino)propan-1-ol
CID 64820422

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid?
The IUPAC name of 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid (CID 159344555) is 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid.
What is the SMILES notation for 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid?
The canonical SMILES for 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid is CCOc1ccc2nc(SCC)[nH]c2c1.OCl.
What is the InChIKey of 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid?
The InChIKey is LGOBMYGBXINGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS.ClHO/c1-3-14-8-5-6-9-10(7-8)13-11(12-9)15-4-2;1-2/h5-7H,3-4H2,1-2H3,(H,12,13);2H.
What are the key properties of 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid?
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid has a molecular weight of 274.77 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid is sourced from PubChem (CID 159344555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).