1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone

C10H7F3N2O — CID 67378249

IUPAC1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C10H7F3N2O/c1-5(16)9-14-7-3-2-6(10(11,12)13)4-8(7)15-9/h2-4H,1H3,(H,14,15)
InChIKeyKWVPZGKMOLAIMW-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.78
Rot. Bonds1

About 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone (PubChem CID 67378249) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
PubChem CID67378249
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C10H7F3N2O/c1-5(16)9-14-7-3-2-6(10(11,12)13)4-8(7)15-9/h2-4H,1H3,(H,14,15)
InChIKeyKWVPZGKMOLAIMW-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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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone?
The IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone (CID 67378249) is 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone.
What is the SMILES notation for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone?
The canonical SMILES for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone is CC(=O)c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone?
The InChIKey is KWVPZGKMOLAIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-5(16)9-14-7-3-2-6(10(11,12)13)4-8(7)15-9/h2-4H,1H3,(H,14,15).
What are the key properties of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone?
1-[6-(trifluoromethyl)-1H-benzimidazol-2-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-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone is sourced from PubChem (CID 67378249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).