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

C22H24F2N4OS — CID 55462678

IUPAC2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C22H24F2N4OS/c23-21(24)30-22-26-17-10-4-5-11-18(17)28(22)15-20(29)25-14-19(27-12-6-7-13-27)16-8-2-1-3-9-16/h1-5,8-11,19,21H,6-7,12-15H2,(H,25,29)
InChIKeySPAYFJXANAAZLX-UHFFFAOYSA-N
MW430.52 g/mol
LogP4.30
Rot. Bonds8

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

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 55462678) has the molecular formula C22H24F2N4OS and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID55462678
Molecular FormulaC22H24F2N4OS
Molecular Weight430.52 g/mol
Exact Mass430.16
IUPAC Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C22H24F2N4OS/c23-21(24)30-22-26-17-10-4-5-11-18(17)28(22)15-20(29)25-14-19(27-12-6-7-13-27)16-8-2-1-3-9-16/h1-5,8-11,19,21H,6-7,12-15H2,(H,25,29)
InChIKeySPAYFJXANAAZLX-UHFFFAOYSA-N
XLogP4.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30764002
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 31365115
2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide
CID 86908094
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745515
methyl 4-[[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]methyl]benzoate
CID 55406136
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052839
1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 39953718
2-[4-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]piperazin-1-yl]-N-phenylacetamide
CID 34435710
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 46603243
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-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide (CID 55462678) is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide is O=C(Cn1c(SC(F)F)nc2ccccc21)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is SPAYFJXANAAZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4OS/c23-21(24)30-22-26-17-10-4-5-11-18(17)28(22)15-20(29)25-14-19(27-12-6-7-13-27)16-8-2-1-3-9-16/h1-5,8-11,19,21H,6-7,12-15H2,(H,25,29).
What are the key properties of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 430.52 g/mol, XLogP of 4.30, 8 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-phenyl-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 55462678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).