2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C18H14F5N3OS — CID 27052839

IUPAC2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F5N3OS/c19-16(20)28-17-25-13-3-1-2-4-14(13)26(17)10-15(27)24-9-11-5-7-12(8-6-11)18(21,22)23/h1-8,16H,9-10H2,(H,24,27)
InChIKeyYOFSWVWSIPPCCB-UHFFFAOYSA-N
MW415.39 g/mol
LogP4.69
Rot. Bonds6

About 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 27052839) has the molecular formula C18H14F5N3OS and a molecular weight of 415.39 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID27052839
Molecular FormulaC18H14F5N3OS
Molecular Weight415.39 g/mol
Exact Mass415.08
IUPAC Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F5N3OS/c19-16(20)28-17-25-13-3-1-2-4-14(13)26(17)10-15(27)24-9-11-5-7-12(8-6-11)18(21,22)23/h1-8,16H,9-10H2,(H,24,27)
InChIKeyYOFSWVWSIPPCCB-UHFFFAOYSA-N
XLogP4.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]methyl]benzoate
CID 55406136
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745515
2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide
CID 86908094
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55970558
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 39953718
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 31365115
4-[[[2-[2-[2-[(4-carboxyphenyl)methylamino]-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetyl]amino]methyl]benzoic acid
CID 4280142
2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134051518
1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 55462678
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 27052839) is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(Cn1c(SC(F)F)nc2ccccc21)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is YOFSWVWSIPPCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N3OS/c19-16(20)28-17-25-13-3-1-2-4-14(13)26(17)10-15(27)24-9-11-5-7-12(8-6-11)18(21,22)23/h1-8,16H,9-10H2,(H,24,27).
What are the key properties of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 415.39 g/mol, XLogP of 4.69, 6 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-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 27052839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).