2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide

C11H11F2N3OS — CID 33245985

IUPAC2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nc2ccccc2n1C(F)F
InChIInChI=1S/C11H11F2N3OS/c1-14-9(17)6-18-11-15-7-4-2-3-5-8(7)16(11)10(12)13/h2-5,10H,6H2,1H3,(H,14,17)
InChIKeyVMUSVMAYPUGIMB-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.27
Rot. Bonds4

About 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide

2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide (PubChem CID 33245985) has the molecular formula C11H11F2N3OS and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
PubChem CID33245985
Molecular FormulaC11H11F2N3OS
Molecular Weight271.29 g/mol
Exact Mass271.06
IUPAC Name2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nc2ccccc2n1C(F)F
InChIInChI=1S/C11H11F2N3OS/c1-14-9(17)6-18-11-15-7-4-2-3-5-8(7)16(11)10(12)13/h2-5,10H,6H2,1H3,(H,14,17)
InChIKeyVMUSVMAYPUGIMB-UHFFFAOYSA-N
XLogP2.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51261747
2-[[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-ethylacetamide
CID 17419395
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide
CID 87019175
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide
CID 33247965
N-(cyclopropylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 33247390
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 33248390
ethyl 4-[[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]butanoate
CID 51280111
1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
CID 39005978
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 24524487
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 33245642
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25348020
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
CID 33246091

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide (CID 33245985) is 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide is CNC(=O)CSc1nc2ccccc2n1C(F)F.
What is the InChIKey of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
The InChIKey is VMUSVMAYPUGIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3OS/c1-14-9(17)6-18-11-15-7-4-2-3-5-8(7)16(11)10(12)13/h2-5,10H,6H2,1H3,(H,14,17).
What are the key properties of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide has a molecular weight of 271.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 33245985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).