1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole

C17H11FN2S — CID 171782138

IUPAC1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole
SMILESFc1ccc(-c2ccc(-n3cnc4ccccc43)s2)cc1
InChIInChI=1S/C17H11FN2S/c18-13-7-5-12(6-8-13)16-9-10-17(21-16)20-11-19-14-3-1-2-4-15(14)20/h1-11H
InChIKeyNDLJZPYFNRJIRJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.89
Rot. Bonds2

About 1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole

1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole (PubChem CID 171782138) has the molecular formula C17H11FN2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole
PubChem CID171782138
Molecular FormulaC17H11FN2S
Molecular Weight294.35 g/mol
Exact Mass294.06
IUPAC Name1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole
SMILESFc1ccc(-c2ccc(-n3cnc4ccccc43)s2)cc1
InChIInChI=1S/C17H11FN2S/c18-13-7-5-12(6-8-13)16-9-10-17(21-16)20-11-19-14-3-1-2-4-15(14)20/h1-11H
InChIKeyNDLJZPYFNRJIRJ-UHFFFAOYSA-N
XLogP4.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole?
The IUPAC name of 1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole (CID 171782138) is 1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole.
What is the SMILES notation for 1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole?
The canonical SMILES for 1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole is Fc1ccc(-c2ccc(-n3cnc4ccccc43)s2)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole?
The InChIKey is NDLJZPYFNRJIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2S/c18-13-7-5-12(6-8-13)16-9-10-17(21-16)20-11-19-14-3-1-2-4-15(14)20/h1-11H.
What are the key properties of 1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole?
1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole has a molecular weight of 294.35 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole is sourced from PubChem (CID 171782138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).