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

C16H12F3N3O — CID 141143760

IUPACN-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C16H12F3N3O/c1-10(23)20-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)21-15(22)16(17,18)19/h2-9H,1H3,(H,20,23)
InChIKeyXDQJMUHACUJCOZ-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.00
Rot. Bonds2

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

N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide (PubChem CID 141143760) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide
PubChem CID141143760
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC NameN-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C16H12F3N3O/c1-10(23)20-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)21-15(22)16(17,18)19/h2-9H,1H3,(H,20,23)
InChIKeyXDQJMUHACUJCOZ-UHFFFAOYSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-morpholin-4-ylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4878936
2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid
CID 1485409
1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole
CID 824435
5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 174549252
2,6-ditert-butyl-4-[2-(trifluoromethyl)benzimidazol-1-yl]phenol
CID 88514056
[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 40633280
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723417
N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 3757026
methyl 4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoate
CID 56791848
1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592
N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 26622776

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide (CID 141143760) is N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-n1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide?
The InChIKey is XDQJMUHACUJCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-10(23)20-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)21-15(22)16(17,18)19/h2-9H,1H3,(H,20,23).
What are the key properties of N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide?
N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide has a molecular weight of 319.29 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 141143760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).