2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole

C15H11F3N2S — CID 11822979

IUPAC2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H11F3N2S/c16-15(17,18)11-7-5-10(6-8-11)9-21-14-19-12-3-1-2-4-13(12)20-14/h1-8H,9H2,(H,19,20)
InChIKeyJUAXJCTWTHXKOQ-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.87
Rot. Bonds3

About 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole

2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole (PubChem CID 11822979) has the molecular formula C15H11F3N2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole
PubChem CID11822979
Molecular FormulaC15H11F3N2S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H11F3N2S/c16-15(17,18)11-7-5-10(6-8-11)9-21-14-19-12-3-1-2-4-13(12)20-14/h1-8H,9H2,(H,19,20)
InChIKeyJUAXJCTWTHXKOQ-UHFFFAOYSA-N
XLogP4.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
CID 112630397
2-[(4-bromophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole;hydrobromide
CID 2798753
2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methylsulfanyl]-1H-benzimidazole
CID 145489513
2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
CID 3012526
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide
CID 78774579
1-[5-(1H-benzimidazol-2-ylsulfanylmethyl)furan-2-yl]-2,2,2-trifluoroethanone
CID 2225945
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24542842
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6865120
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 40955887
2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 40739070

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole (CID 11822979) is 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole is FC(F)(F)c1ccc(CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole?
The InChIKey is JUAXJCTWTHXKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2S/c16-15(17,18)11-7-5-10(6-8-11)9-21-14-19-12-3-1-2-4-13(12)20-14/h1-8H,9H2,(H,19,20).
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole?
2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole has a molecular weight of 308.33 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 11822979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).