2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide

C17H14F3N3O2S — CID 177370204

IUPAC2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide
SMILESO=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)NO
InChIInChI=1S/C17H14F3N3O2S/c18-17(19,20)12-6-7-14-13(8-12)21-16(26-10-15(24)22-25)23(14)9-11-4-2-1-3-5-11/h1-8,25H,9-10H2,(H,22,24)
InChIKeyWAZXETGTMWSFOA-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.70
Rot. Bonds5

About 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide

2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide (PubChem CID 177370204) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide
PubChem CID177370204
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide
SMILESO=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)NO
InChIInChI=1S/C17H14F3N3O2S/c18-17(19,20)12-6-7-14-13(8-12)21-16(26-10-15(24)22-25)23(14)9-11-4-2-1-3-5-11/h1-8,25H,9-10H2,(H,22,24)
InChIKeyWAZXETGTMWSFOA-UHFFFAOYSA-N
XLogP3.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 4033074
N-(benzylcarbamoyl)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3604261
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 4030976
3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46689137
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 26434941
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25361394
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4815297
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 4843098
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 41166156
1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one
CID 112821836
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
CID 5011390
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 98419082

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide?
The IUPAC name of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide (CID 177370204) is 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide.
What is the SMILES notation for 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide?
The canonical SMILES for 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide is O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)NO.
What is the InChIKey of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide?
The InChIKey is WAZXETGTMWSFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c18-17(19,20)12-6-7-14-13(8-12)21-16(26-10-15(24)22-25)23(14)9-11-4-2-1-3-5-11/h1-8,25H,9-10H2,(H,22,24).
What are the key properties of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide?
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide has a molecular weight of 381.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide is sourced from PubChem (CID 177370204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).