2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C20H19F2N3OS — CID 55406074

IUPAC2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)NC1CCc2ccccc2C1
InChIInChI=1S/C20H19F2N3OS/c21-19(22)27-20-24-16-7-3-4-8-17(16)25(20)12-18(26)23-15-10-9-13-5-1-2-6-14(13)11-15/h1-8,15,19H,9-12H2,(H,23,26)
InChIKeyPXUSPZBRVJODKD-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.02
Rot. Bonds5

About 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 55406074) has the molecular formula C20H19F2N3OS and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID55406074
Molecular FormulaC20H19F2N3OS
Molecular Weight387.46 g/mol
Exact Mass387.12
IUPAC Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)NC1CCc2ccccc2C1
InChIInChI=1S/C20H19F2N3OS/c21-19(22)27-20-24-16-7-3-4-8-17(16)25(20)12-18(26)23-15-10-9-13-5-1-2-6-14(13)11-15/h1-8,15,19H,9-12H2,(H,23,26)
InChIKeyPXUSPZBRVJODKD-UHFFFAOYSA-N
XLogP4.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 55406074) is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is O=C(Cn1c(SC(F)F)nc2ccccc21)NC1CCc2ccccc2C1.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is PXUSPZBRVJODKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3OS/c21-19(22)27-20-24-16-7-3-4-8-17(16)25(20)12-18(26)23-15-10-9-13-5-1-2-6-14(13)11-15/h1-8,15,19H,9-12H2,(H,23,26).
What are the key properties of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 55406074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).