2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole

C17H13FN2S — CID 46931681

IUPAC2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole
SMILESFCCn1c(-c2cc3ccccc3s2)nc2ccccc21
InChIInChI=1S/C17H13FN2S/c18-9-10-20-14-7-3-2-6-13(14)19-17(20)16-11-12-5-1-4-8-15(12)21-16/h1-8,11H,9-10H2
InChIKeyFXZXZVCELBDNIT-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.89
Rot. Bonds3

About 2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole

2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole (PubChem CID 46931681) has the molecular formula C17H13FN2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole
PubChem CID46931681
Molecular FormulaC17H13FN2S
Molecular Weight296.37 g/mol
Exact Mass296.08
IUPAC Name2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole
SMILESFCCn1c(-c2cc3ccccc3s2)nc2ccccc21
InChIInChI=1S/C17H13FN2S/c18-9-10-20-14-7-3-2-6-13(14)19-17(20)16-11-12-5-1-4-8-15(12)21-16/h1-8,11H,9-10H2
InChIKeyFXZXZVCELBDNIT-UHFFFAOYSA-N
XLogP4.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole?
The IUPAC name of 2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole (CID 46931681) is 2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole is FCCn1c(-c2cc3ccccc3s2)nc2ccccc21.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole?
The InChIKey is FXZXZVCELBDNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2S/c18-9-10-20-14-7-3-2-6-13(14)19-17(20)16-11-12-5-1-4-8-15(12)21-16/h1-8,11H,9-10H2.
What are the key properties of 2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole?
2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole has a molecular weight of 296.37 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-1-(2-fluoroethyl)benzimidazole is sourced from PubChem (CID 46931681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).