2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide

C15H11F2N3OS — CID 2095603

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1c(F)cccc1F
InChIInChI=1S/C15H11F2N3OS/c16-9-4-3-5-10(17)14(9)20-13(21)8-22-15-18-11-6-1-2-7-12(11)19-15/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyLDTJAPAVRRZWAV-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.57
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide (PubChem CID 2095603) has the molecular formula C15H11F2N3OS and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide
PubChem CID2095603
Molecular FormulaC15H11F2N3OS
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1c(F)cccc1F
InChIInChI=1S/C15H11F2N3OS/c16-9-4-3-5-10(17)14(9)20-13(21)8-22-15-18-11-6-1-2-7-12(11)19-15/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyLDTJAPAVRRZWAV-UHFFFAOYSA-N
XLogP3.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methylthio)benzimidazole
CID 23539
(2-Benzimidazolylmethylthio)-acetic acid
CID 275437
1H-benzimidazole-2-acetamide
CID 109017
4-(1H-benzimidazol-2-ylthio)aniline
CID 2398100
(2-Benzimidazolylthio)-acetic acid
CID 137805
2-(Allylthio)benzimidazole
CID 1605100
N-(1H-1,3-benzodiazol-2-yl)acetamide
CID 167972
2-Benzylthiobenzimidazole
CID 416770
ethyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate
CID 21564
2-{[1-(1H-1,3-benzodiazol-2-yl)ethyl]sulfanyl}acetic acid
CID 3811774
2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole
CID 937216
2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole
CID 383505

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide (CID 2095603) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1c(F)cccc1F.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is LDTJAPAVRRZWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3OS/c16-9-4-3-5-10(17)14(9)20-13(21)8-22-15-18-11-6-1-2-7-12(11)19-15/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 319.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 2095603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).