2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole

C15H11F3N2S — CID 81456026

IUPAC2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(CSc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H11F3N2S/c16-15(17,18)10-6-7-12-13(8-10)20-14(19-12)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20)
InChIKeyJEFCUZAOYQSEJX-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.87
Rot. Bonds3

About 2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 81456026) has the molecular formula C15H11F3N2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID81456026
Molecular FormulaC15H11F3N2S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(CSc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H11F3N2S/c16-15(17,18)10-6-7-12-13(8-10)20-14(19-12)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20)
InChIKeyJEFCUZAOYQSEJX-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

Analyze 2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 81456026) is 2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(CSc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is JEFCUZAOYQSEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2S/c16-15(17,18)10-6-7-12-13(8-10)20-14(19-12)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20).
What are the key properties of 2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-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-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 81456026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).