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

C15H11F3N4O2 — CID 51114324

IUPACN-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1c[nH]ccc1=O
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)14-21-9-3-1-2-4-11(9)22(14)8-13(24)20-10-7-19-6-5-12(10)23/h1-7H,8H2,(H,19,23)(H,20,24)
InChIKeyBPASKZCIZDYQHN-UHFFFAOYSA-N
MW336.27 g/mol
LogP2.38
Rot. Bonds3

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

N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 51114324) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID51114324
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC NameN-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1c[nH]ccc1=O
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)14-21-9-3-1-2-4-11(9)22(14)8-13(24)20-10-7-19-6-5-12(10)23/h1-7H,8H2,(H,19,23)(H,20,24)
InChIKeyBPASKZCIZDYQHN-UHFFFAOYSA-N
XLogP2.38
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39045058
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723417
N-(2-fluoro-5-methylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723406
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 26905640
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37003501
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26688623
4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide
CID 31965173
N-[2-(2-phenylethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 55674996
N-(2-piperidin-1-ylsulfonylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 60549313
N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 30279791
N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 26622776
N-(2-morpholin-4-ylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4878936

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 51114324) is N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1c[nH]ccc1=O.
What is the InChIKey of N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is BPASKZCIZDYQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-15(17,18)14-21-9-3-1-2-4-11(9)22(14)8-13(24)20-10-7-19-6-5-12(10)23/h1-7H,8H2,(H,19,23)(H,20,24).
What are the key properties of N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 336.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 51114324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).