[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane

C16H11F5N4OS — CID 87280464

IUPAC[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane
SMILESFC(c1ccccc1)S(F)(F)(F)(F)c1nnc(-c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C16H11F5N4OS/c17-14(10-4-2-1-3-5-10)27(18,19,20,21)16-25-24-15(26-16)11-6-7-12-13(8-11)23-9-22-12/h1-9,14H,(H,22,23)
InChIKeyDNZASPLJEHINEY-UHFFFAOYSA-N
MW402.35 g/mol
LogP6.05
Rot. Bonds4

About [5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane

[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane (PubChem CID 87280464) has the molecular formula C16H11F5N4OS and a molecular weight of 402.35 g/mol. Its IUPAC name is [5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane.

Molecular Properties

Compound Name[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane
PubChem CID87280464
Molecular FormulaC16H11F5N4OS
Molecular Weight402.35 g/mol
Exact Mass402.06
IUPAC Name[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane
SMILESFC(c1ccccc1)S(F)(F)(F)(F)c1nnc(-c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C16H11F5N4OS/c17-14(10-4-2-1-3-5-10)27(18,19,20,21)16-25-24-15(26-16)11-6-7-12-13(8-11)23-9-22-12/h1-9,14H,(H,22,23)
InChIKeyDNZASPLJEHINEY-UHFFFAOYSA-N
XLogP6.05
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.35
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane with MolForge

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

Launch Full Analysis

Related Compounds

2-(3H-benzimidazol-5-yl)-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
CID 25024286
2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole
CID 143620068
2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 1467867
2-(3H-benzimidazol-5-yl)phenol
CID 162260962
2-[2-(3H-benzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1,3-benzoxazole
CID 123750067
5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
CID 94069320
5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol
CID 156522416
2-(3H-benzimidazol-5-yl)-5-(1,3-benzothiazol-2-yl)-1,3-benzoxazole
CID 129206911
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
2-(3H-benzimidazol-5-yl)chromen-4-one
CID 10061237
[2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone
CID 90027627
3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59214344

Frequently Asked Questions

What is the IUPAC name of [5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane?
The IUPAC name of [5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane (CID 87280464) is [5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane.
What is the SMILES notation for [5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane?
The canonical SMILES for [5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane is FC(c1ccccc1)S(F)(F)(F)(F)c1nnc(-c2ccc3nc[nH]c3c2)o1.
What is the InChIKey of [5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane?
The InChIKey is DNZASPLJEHINEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N4OS/c17-14(10-4-2-1-3-5-10)27(18,19,20,21)16-25-24-15(26-16)11-6-7-12-13(8-11)23-9-22-12/h1-9,14H,(H,22,23).
What are the key properties of [5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane?
[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane has a molecular weight of 402.35 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane is sourced from PubChem (CID 87280464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).