2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide

C17H22F3N3O2S — CID 78857377

IUPAC2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
SMILESCCCCn1c(SCC(=O)NC(C)CO)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H22F3N3O2S/c1-3-4-7-23-14-6-5-12(17(18,19)20)8-13(14)22-16(23)26-10-15(25)21-11(2)9-24/h5-6,8,11,24H,3-4,7,9-10H2,1-2H3,(H,21,25)
InChIKeyIKTGTPFGRPSIQL-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.44
Rot. Bonds8

About 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide

2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide (PubChem CID 78857377) has the molecular formula C17H22F3N3O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
PubChem CID78857377
Molecular FormulaC17H22F3N3O2S
Molecular Weight389.44 g/mol
Exact Mass389.14
IUPAC Name2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
SMILESCCCCn1c(SCC(=O)NC(C)CO)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H22F3N3O2S/c1-3-4-7-23-14-6-5-12(17(18,19)20)8-13(14)22-16(23)26-10-15(25)21-11(2)9-24/h5-6,8,11,24H,3-4,7,9-10H2,1-2H3,(H,21,25)
InChIKeyIKTGTPFGRPSIQL-UHFFFAOYSA-N
XLogP3.44
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 7063825
N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25324095
methyl 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-2-methylpropanoate
CID 55609585
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 115501975
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7839697
2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 55430200
N-[(2R)-butan-2-yl]-2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanylacetamide
CID 29180122
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 46672821
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
N-[(2S)-1-hydroxypropan-2-yl]-2-[2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]sulfanyl-5-nitrobenzimidazol-1-yl]acetamide
CID 27209741
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide
CID 177370204
N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25330174

Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide?
The IUPAC name of 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide (CID 78857377) is 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide is CCCCn1c(SCC(=O)NC(C)CO)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide?
The InChIKey is IKTGTPFGRPSIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2S/c1-3-4-7-23-14-6-5-12(17(18,19)20)8-13(14)22-16(23)26-10-15(25)21-11(2)9-24/h5-6,8,11,24H,3-4,7,9-10H2,1-2H3,(H,21,25).
What are the key properties of 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide?
2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide has a molecular weight of 389.44 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 78857377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).