2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole

C17H18N2OS — CID 740256

IUPAC2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole
SMILESCCSc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C17H18N2OS/c1-2-21-17-18-15-10-6-7-11-16(15)19(17)12-13-20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyFRFYBOSGZLWJAP-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.23
Rot. Bonds6

About 2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole

2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole (PubChem CID 740256) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole
PubChem CID740256
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole
SMILESCCSc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C17H18N2OS/c1-2-21-17-18-15-10-6-7-11-16(15)19(17)12-13-20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyFRFYBOSGZLWJAP-UHFFFAOYSA-N
XLogP4.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole?
The IUPAC name of 2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole (CID 740256) is 2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole.
What is the SMILES notation for 2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole?
The canonical SMILES for 2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole is CCSc1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole?
The InChIKey is FRFYBOSGZLWJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-2-21-17-18-15-10-6-7-11-16(15)19(17)12-13-20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole?
2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole has a molecular weight of 298.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(2-phenoxyethyl)benzimidazole is sourced from PubChem (CID 740256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).