2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide

C20H20F2N4OS — CID 30764002

IUPAC2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)Nc1ccccc1N1CCCC1
InChIInChI=1S/C20H20F2N4OS/c21-19(22)28-20-24-15-8-2-4-10-17(15)26(20)13-18(27)23-14-7-1-3-9-16(14)25-11-5-6-12-25/h1-4,7-10,19H,5-6,11-13H2,(H,23,27)
InChIKeyGPUIZRQMVCKJHW-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.59
Rot. Bonds6

About 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 30764002) has the molecular formula C20H20F2N4OS and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID30764002
Molecular FormulaC20H20F2N4OS
Molecular Weight402.47 g/mol
Exact Mass402.13
IUPAC Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)Nc1ccccc1N1CCCC1
InChIInChI=1S/C20H20F2N4OS/c21-19(22)28-20-24-15-8-2-4-10-17(15)26(20)13-18(27)23-14-7-1-3-9-16(14)25-11-5-6-12-25/h1-4,7-10,19H,5-6,11-13H2,(H,23,27)
InChIKeyGPUIZRQMVCKJHW-UHFFFAOYSA-N
XLogP4.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
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-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide
CID 55729502
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 39953718
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30889458
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 34865373
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 55462678
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-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745515
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 51238043
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 55548710

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 30764002) is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide is O=C(Cn1c(SC(F)F)nc2ccccc21)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is GPUIZRQMVCKJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4OS/c21-19(22)28-20-24-15-8-2-4-10-17(15)26(20)13-18(27)23-14-7-1-3-9-16(14)25-11-5-6-12-25/h1-4,7-10,19H,5-6,11-13H2,(H,23,27).
What are the key properties of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 402.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 30764002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).