2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

C17H11F3N4OS — CID 16624050

IUPAC2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(SCc3nc4ccccc4n3C(F)F)o2)cc1
InChIInChI=1S/C17H11F3N4OS/c18-11-7-5-10(6-8-11)15-22-23-17(25-15)26-9-14-21-12-3-1-2-4-13(12)24(14)16(19)20/h1-8,16H,9H2
InChIKeyLMXHPXAEORLZCJ-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.91
Rot. Bonds5

About 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 16624050) has the molecular formula C17H11F3N4OS and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID16624050
Molecular FormulaC17H11F3N4OS
Molecular Weight376.36 g/mol
Exact Mass376.06
IUPAC Name2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(SCc3nc4ccccc4n3C(F)F)o2)cc1
InChIInChI=1S/C17H11F3N4OS/c18-11-7-5-10(6-8-11)15-22-23-17(25-15)26-9-14-21-12-3-1-2-4-13(12)24(14)16(19)20/h1-8,16H,9H2
InChIKeyLMXHPXAEORLZCJ-UHFFFAOYSA-N
XLogP4.91
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 16624050) is 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(SCc3nc4ccccc4n3C(F)F)o2)cc1.
What is the InChIKey of 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is LMXHPXAEORLZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4OS/c18-11-7-5-10(6-8-11)15-22-23-17(25-15)26-9-14-21-12-3-1-2-4-13(12)24(14)16(19)20/h1-8,16H,9H2.
What are the key properties of 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 376.36 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 16624050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).