2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide

C16H21F2N3OS — CID 87019175

IUPAC2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide
SMILESCC(C)(C)CCNC(=O)CSc1nc2ccccc2n1C(F)F
InChIInChI=1S/C16H21F2N3OS/c1-16(2,3)8-9-19-13(22)10-23-15-20-11-6-4-5-7-12(11)21(15)14(17)18/h4-7,14H,8-10H2,1-3H3,(H,19,22)
InChIKeyOMYBRODDNSXISQ-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.08
Rot. Bonds6

About 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide

2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide (PubChem CID 87019175) has the molecular formula C16H21F2N3OS and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide
PubChem CID87019175
Molecular FormulaC16H21F2N3OS
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide
SMILESCC(C)(C)CCNC(=O)CSc1nc2ccccc2n1C(F)F
InChIInChI=1S/C16H21F2N3OS/c1-16(2,3)8-9-19-13(22)10-23-15-20-11-6-4-5-7-12(11)21(15)14(17)18/h4-7,14H,8-10H2,1-3H3,(H,19,22)
InChIKeyOMYBRODDNSXISQ-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide
CID 33247965
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 33245985
2-[[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-ethylacetamide
CID 17419395
ethyl 4-[[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]butanoate
CID 51280111
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51261747
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 33248390
N-(cyclopropylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 33247390
N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 87019247
1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
CID 39005978
N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 51280153
2-[1-(3,3-dimethylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 104828968
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 33245642

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide (CID 87019175) is 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide is CC(C)(C)CCNC(=O)CSc1nc2ccccc2n1C(F)F.
What is the InChIKey of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide?
The InChIKey is OMYBRODDNSXISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3OS/c1-16(2,3)8-9-19-13(22)10-23-15-20-11-6-4-5-7-12(11)21(15)14(17)18/h4-7,14H,8-10H2,1-3H3,(H,19,22).
What are the key properties of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide?
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide has a molecular weight of 341.43 g/mol, XLogP of 4.08, 6 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-(3,3-dimethylbutyl)acetamide is sourced from PubChem (CID 87019175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).