N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C21H15F3N4O2 — CID 31776002

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)15-4-3-11-28(20(15)30)12-18(29)25-14-9-7-13(8-10-14)19-26-16-5-1-2-6-17(16)27-19/h1-11H,12H2,(H,25,29)(H,26,27)
InChIKeyVTOXAMULKIZIKT-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.05
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 31776002) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID31776002
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)15-4-3-11-28(20(15)30)12-18(29)25-14-9-7-13(8-10-14)19-26-16-5-1-2-6-17(16)27-19/h1-11H,12H2,(H,25,29)(H,26,27)
InChIKeyVTOXAMULKIZIKT-UHFFFAOYSA-N
XLogP4.05
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-imidazol-1-ylphenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 37183985
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate
CID 3680939
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 163329363
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 43021407
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
N-(3-chlorophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2746340
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
CID 1348553
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 1231029
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 40704455
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 46339370
N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55947586

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 31776002) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is VTOXAMULKIZIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c22-21(23,24)15-4-3-11-28(20(15)30)12-18(29)25-14-9-7-13(8-10-14)19-26-16-5-1-2-6-17(16)27-19/h1-11H,12H2,(H,25,29)(H,26,27).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 412.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 31776002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).