2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C16H12F3N3O — CID 744841

IUPAC2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)11-4-3-5-12(8-11)21-15(23)9-22-10-20-13-6-1-2-7-14(13)22/h1-8,10H,9H2,(H,21,23)
InChIKeySSKLTRLYHBPTFD-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.69
Rot. Bonds3

About 2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 744841) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID744841
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)11-4-3-5-12(8-11)21-15(23)9-22-10-20-13-6-1-2-7-14(13)22/h1-8,10H,9H2,(H,21,23)
InChIKeySSKLTRLYHBPTFD-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
CID 66899593
2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 67021639
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide
CID 87835884
2-(4-aminobenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide;2-(4-nitrobenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 87925782
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21380516
2-(2-cyclopropylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17028781
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17031747
2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 87834703

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 744841) is 2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1cnc2ccccc21)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SSKLTRLYHBPTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c17-16(18,19)11-4-3-5-12(8-11)21-15(23)9-22-10-20-13-6-1-2-7-14(13)22/h1-8,10H,9H2,(H,21,23).
What are the key properties of 2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 319.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 744841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).