2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide

C18H16F2N4O2S — CID 55729502

IUPAC2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NC(=O)Cn1c(SC(F)F)nc2ccccc21
InChIInChI=1S/C18H16F2N4O2S/c19-17(20)27-18-23-13-7-3-4-8-14(13)24(18)10-16(26)22-12-6-2-1-5-11(12)9-15(21)25/h1-8,17H,9-10H2,(H2,21,25)(H,22,26)
InChIKeyIAJIUXIMAJVVDT-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.02
Rot. Bonds7

About 2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide

2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide (PubChem CID 55729502) has the molecular formula C18H16F2N4O2S and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide
PubChem CID55729502
Molecular FormulaC18H16F2N4O2S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NC(=O)Cn1c(SC(F)F)nc2ccccc21
InChIInChI=1S/C18H16F2N4O2S/c19-17(20)27-18-23-13-7-3-4-8-14(13)24(18)10-16(26)22-12-6-2-1-5-11(12)9-15(21)25/h1-8,17H,9-10H2,(H2,21,25)(H,22,26)
InChIKeyIAJIUXIMAJVVDT-UHFFFAOYSA-N
XLogP3.02
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide
CID 78816234
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30764002
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 39953718
N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide
CID 26703232
N-[4-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]-3-methylbutanamide
CID 46543245
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 75479114
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 51238043
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009523
1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide
CID 86908094
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723417
2-[4-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]piperazin-1-yl]-N-phenylacetamide
CID 34435710

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide (CID 55729502) is 2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide is NC(=O)Cc1ccccc1NC(=O)Cn1c(SC(F)F)nc2ccccc21.
What is the InChIKey of 2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide?
The InChIKey is IAJIUXIMAJVVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2S/c19-17(20)27-18-23-13-7-3-4-8-14(13)24(18)10-16(26)22-12-6-2-1-5-11(12)9-15(21)25/h1-8,17H,9-10H2,(H2,21,25)(H,22,26).
What are the key properties of 2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide?
2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide has a molecular weight of 390.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 55729502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).