6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole

C14H11FN2S — CID 112730258

IUPAC6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
SMILESCSc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1
InChIInChI=1S/C14H11FN2S/c1-18-11-5-2-9(3-6-11)14-16-12-7-4-10(15)8-13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKeyVBKJZKNLFNKEHF-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.09
Rot. Bonds2

About 6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole

6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole (PubChem CID 112730258) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
PubChem CID112730258
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
SMILESCSc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1
InChIInChI=1S/C14H11FN2S/c1-18-11-5-2-9(3-6-11)14-16-12-7-4-10(15)8-13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKeyVBKJZKNLFNKEHF-UHFFFAOYSA-N
XLogP4.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
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6-fluoro-2-(2-methyl-4-pyridinyl)-1H-benzimidazole
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2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
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6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole
CID 60980673
2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 103597133
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
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CID 20689909

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole (CID 112730258) is 6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole is CSc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1.
What is the InChIKey of 6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole?
The InChIKey is VBKJZKNLFNKEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c1-18-11-5-2-9(3-6-11)14-16-12-7-4-10(15)8-13(12)17-14/h2-8H,1H3,(H,16,17).
What are the key properties of 6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole?
6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole has a molecular weight of 258.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole is sourced from PubChem (CID 112730258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).