2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole

C16H11F3N2S — CID 141198526

IUPAC2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole
SMILESFC(F)(F)Sc1ccc(C=Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H11F3N2S/c17-16(18,19)22-12-8-5-11(6-9-12)7-10-15-20-13-3-1-2-4-14(13)21-15/h1-10H,(H,20,21)
InChIKeyJNYFKULHDXYSNW-UHFFFAOYSA-N
MW320.34 g/mol
LogP5.35
Rot. Bonds3

About 2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole

2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole (PubChem CID 141198526) has the molecular formula C16H11F3N2S and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole
PubChem CID141198526
Molecular FormulaC16H11F3N2S
Molecular Weight320.34 g/mol
Exact Mass320.06
IUPAC Name2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole
SMILESFC(F)(F)Sc1ccc(C=Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H11F3N2S/c17-16(18,19)22-12-8-5-11(6-9-12)7-10-15-20-13-3-1-2-4-14(13)21-15/h1-10H,(H,20,21)
InChIKeyJNYFKULHDXYSNW-UHFFFAOYSA-N
XLogP5.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.34
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
CID 2749986
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
2-[2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165848
2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-pyrimidin-6-one
CID 71871884
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane
CID 20732162
2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 6166899
4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole
CID 67417408
2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
CID 141198507
2-[2-(1H-benzimidazol-2-yl)ethenyl]phenol
CID 137201342
2-[2-(3-nitrophenyl)ethenyl]-1H-benzimidazole;hydrochloride
CID 71966072
2-[(E)-2-(2,4-difluorophenyl)ethenyl]-1H-benzimidazole
CID 132567925
3-(1H-benzimidazol-2-yl)prop-2-enoic acid
CID 4702151

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole (CID 141198526) is 2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole is FC(F)(F)Sc1ccc(C=Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole?
The InChIKey is JNYFKULHDXYSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2S/c17-16(18,19)22-12-8-5-11(6-9-12)7-10-15-20-13-3-1-2-4-14(13)21-15/h1-10H,(H,20,21).
What are the key properties of 2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole?
2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole has a molecular weight of 320.34 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole is sourced from PubChem (CID 141198526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).