1-benzyl-2-ethylsulfanylbenzimidazole

C16H16N2S — CID 700789

IUPAC1-benzyl-2-ethylsulfanylbenzimidazole
SMILESCCSc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H16N2S/c1-2-19-16-17-14-10-6-7-11-15(14)18(16)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyKXHMZLYSDQXUEZ-UHFFFAOYSA-N
MW268.39 g/mol
LogP4.20
Rot. Bonds4

About 1-benzyl-2-ethylsulfanylbenzimidazole

1-benzyl-2-ethylsulfanylbenzimidazole (PubChem CID 700789) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-benzyl-2-ethylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-2-ethylsulfanylbenzimidazole
PubChem CID700789
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name1-benzyl-2-ethylsulfanylbenzimidazole
SMILESCCSc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H16N2S/c1-2-19-16-17-14-10-6-7-11-15(14)18(16)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyKXHMZLYSDQXUEZ-UHFFFAOYSA-N
XLogP4.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethylsulfanylbenzimidazole?
The IUPAC name of 1-benzyl-2-ethylsulfanylbenzimidazole (CID 700789) is 1-benzyl-2-ethylsulfanylbenzimidazole.
What is the SMILES notation for 1-benzyl-2-ethylsulfanylbenzimidazole?
The canonical SMILES for 1-benzyl-2-ethylsulfanylbenzimidazole is CCSc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-ethylsulfanylbenzimidazole?
The InChIKey is KXHMZLYSDQXUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-2-19-16-17-14-10-6-7-11-15(14)18(16)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-benzyl-2-ethylsulfanylbenzimidazole?
1-benzyl-2-ethylsulfanylbenzimidazole has a molecular weight of 268.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethylsulfanylbenzimidazole is sourced from PubChem (CID 700789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).