1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone

C10H7F3N2O — CID 83450578

IUPAC1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
SMILESCC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H7F3N2O/c1-5(16)6-2-3-7-8(4-6)15-9(14-7)10(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyJGIFMBSMJYEGQT-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.78
Rot. Bonds1

About 1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone

1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone (PubChem CID 83450578) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
PubChem CID83450578
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
SMILESCC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H7F3N2O/c1-5(16)6-2-3-7-8(4-6)15-9(14-7)10(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyJGIFMBSMJYEGQT-UHFFFAOYSA-N
XLogP2.78
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
CID 45494073
N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71689923
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 95741069
[(2S)-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 95741065
N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71690232
1-[(1S,5R)-6-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 74245518
[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 72936321
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 71690227
N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 74247171
2-(trifluoromethyl)-3H-benzimidazol-5-amine;dihydrochloride
CID 6431732
2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride
CID 53347635

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone?
The IUPAC name of 1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone (CID 83450578) is 1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone is CC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of 1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone?
The InChIKey is JGIFMBSMJYEGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-5(16)6-2-3-7-8(4-6)15-9(14-7)10(11,12)13/h2-4H,1H3,(H,14,15).
What are the key properties of 1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone?
1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone has a molecular weight of 228.17 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone is sourced from PubChem (CID 83450578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).