2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole

C16H15FN2S — CID 573255

IUPAC2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole
SMILESCCSc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C16H15FN2S/c1-2-20-16-18-14-9-5-6-10-15(14)19(16)11-12-7-3-4-8-13(12)17/h3-10H,2,11H2,1H3
InChIKeyJEDLQXCRXOMYNU-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.34
Rot. Bonds4

About 2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole

2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole (PubChem CID 573255) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole
PubChem CID573255
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole
SMILESCCSc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C16H15FN2S/c1-2-20-16-18-14-9-5-6-10-15(14)19(16)11-12-7-3-4-8-13(12)17/h3-10H,2,11H2,1H3
InChIKeyJEDLQXCRXOMYNU-UHFFFAOYSA-N
XLogP4.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole (CID 573255) is 2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole is CCSc1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole?
The InChIKey is JEDLQXCRXOMYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-2-20-16-18-14-9-5-6-10-15(14)19(16)11-12-7-3-4-8-13(12)17/h3-10H,2,11H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole?
2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole has a molecular weight of 286.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-[(2-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 573255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).