2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide

C15H12F2N4OS — CID 39953718

IUPAC2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)Nc1ccncc1
InChIInChI=1S/C15H12F2N4OS/c16-14(17)23-15-20-11-3-1-2-4-12(11)21(15)9-13(22)19-10-5-7-18-8-6-10/h1-8,14H,9H2,(H,18,19,22)
InChIKeyOKWDIXXPZZTHRI-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.38
Rot. Bonds5

About 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide (PubChem CID 39953718) has the molecular formula C15H12F2N4OS and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
PubChem CID39953718
Molecular FormulaC15H12F2N4OS
Molecular Weight334.35 g/mol
Exact Mass334.07
IUPAC Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)Nc1ccncc1
InChIInChI=1S/C15H12F2N4OS/c16-14(17)23-15-20-11-3-1-2-4-12(11)21(15)9-13(22)19-10-5-7-18-8-6-10/h1-8,14H,9H2,(H,18,19,22)
InChIKeyOKWDIXXPZZTHRI-UHFFFAOYSA-N
XLogP3.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]-3-methylbutanamide
CID 46543245
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009523
2-[4-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]piperazin-1-yl]-N-phenylacetamide
CID 34435710
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
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
N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide
CID 26703232
1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30764002
2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide
CID 86908094
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide (CID 39953718) is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide is O=C(Cn1c(SC(F)F)nc2ccccc21)Nc1ccncc1.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide?
The InChIKey is OKWDIXXPZZTHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4OS/c16-14(17)23-15-20-11-3-1-2-4-12(11)21(15)9-13(22)19-10-5-7-18-8-6-10/h1-8,14H,9H2,(H,18,19,22).
What are the key properties of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide?
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide has a molecular weight of 334.35 g/mol, XLogP of 3.38, 5 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-pyridin-4-ylacetamide is sourced from PubChem (CID 39953718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).