1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone

C12H11F3N2O2 — CID 134963333

IUPAC1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone
SMILESCC(=O)c1cccc2c1nc(C(F)(F)F)n2CCO
InChIInChI=1S/C12H11F3N2O2/c1-7(19)8-3-2-4-9-10(8)16-11(12(13,14)15)17(9)5-6-18/h2-4,18H,5-6H2,1H3
InChIKeyBHLPFBPPPGTWLP-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.25
Rot. Bonds3

About 1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone

1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone (PubChem CID 134963333) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone
PubChem CID134963333
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone
SMILESCC(=O)c1cccc2c1nc(C(F)(F)F)n2CCO
InChIInChI=1S/C12H11F3N2O2/c1-7(19)8-3-2-4-9-10(8)16-11(12(13,14)15)17(9)5-6-18/h2-4,18H,5-6H2,1H3
InChIKeyBHLPFBPPPGTWLP-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115543142
2-tert-butyl-1-propylbenzimidazole-4-carboxylic acid
CID 113332177
2-tert-butyl-1-(3-methoxypropyl)benzimidazole-4-carboxylic acid
CID 115543023
1-pentan-3-yl-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115542985
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
CID 111469972
N-(2,6-dichlorophenyl)-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(trifluoromethyl)benzimidazole-4-carboxamide
CID 67636471
2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol
CID 2772843
1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine
CID 82068309
1-(1-amino-1-oxopropan-2-yl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115543098
2-tert-butyl-1-(2-methoxy-2-oxoethyl)benzimidazole-4-carboxylic acid
CID 115542843
2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol
CID 139430862

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone?
The IUPAC name of 1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone (CID 134963333) is 1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone is CC(=O)c1cccc2c1nc(C(F)(F)F)n2CCO.
What is the InChIKey of 1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone?
The InChIKey is BHLPFBPPPGTWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-7(19)8-3-2-4-9-10(8)16-11(12(13,14)15)17(9)5-6-18/h2-4,18H,5-6H2,1H3.
What are the key properties of 1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone?
1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone has a molecular weight of 272.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone is sourced from PubChem (CID 134963333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).