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

C11H9F3N2O — CID 54772660

IUPAC1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C11H9F3N2O/c1-6(17)10-15-8-5-7(11(12,13)14)3-4-9(8)16(10)2/h3-5H,1-2H3
InChIKeyRFOMHEPQLKQTPK-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.79
Rot. Bonds1

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

1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone (PubChem CID 54772660) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone
PubChem CID54772660
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C11H9F3N2O/c1-6(17)10-15-8-5-7(11(12,13)14)3-4-9(8)16(10)2/h3-5H,1-2H3
InChIKeyRFOMHEPQLKQTPK-UHFFFAOYSA-N
XLogP2.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone?
The IUPAC name of 1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone (CID 54772660) is 1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone?
The canonical SMILES for 1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone is CC(=O)c1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone?
The InChIKey is RFOMHEPQLKQTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6(17)10-15-8-5-7(11(12,13)14)3-4-9(8)16(10)2/h3-5H,1-2H3.
What are the key properties of 1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone?
1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone has a molecular weight of 242.20 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone is sourced from PubChem (CID 54772660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).