1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole

C17H17FN2OS — CID 2772637

IUPAC1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole
SMILESCCn1c(SCCOc2ccccc2F)nc2ccccc21
InChIInChI=1S/C17H17FN2OS/c1-2-20-15-9-5-4-8-14(15)19-17(20)22-12-11-21-16-10-6-3-7-13(16)18/h3-10H,2,11-12H2,1H3
InChIKeyIVVZSVKCBFYODY-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.37
Rot. Bonds6

About 1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole

1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole (PubChem CID 2772637) has the molecular formula C17H17FN2OS and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole
PubChem CID2772637
Molecular FormulaC17H17FN2OS
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC Name1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole
SMILESCCn1c(SCCOc2ccccc2F)nc2ccccc21
InChIInChI=1S/C17H17FN2OS/c1-2-20-15-9-5-4-8-14(15)19-17(20)22-12-11-21-16-10-6-3-7-13(16)18/h3-10H,2,11-12H2,1H3
InChIKeyIVVZSVKCBFYODY-UHFFFAOYSA-N
XLogP4.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole (CID 2772637) is 1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole is CCn1c(SCCOc2ccccc2F)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole?
The InChIKey is IVVZSVKCBFYODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2OS/c1-2-20-15-9-5-4-8-14(15)19-17(20)22-12-11-21-16-10-6-3-7-13(16)18/h3-10H,2,11-12H2,1H3.
What are the key properties of 1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole?
1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole has a molecular weight of 316.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazole is sourced from PubChem (CID 2772637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).