methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate

C12H11F3N2O2 — CID 79475042

IUPACmethyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate
SMILESCOC(=O)Cc1nc2ccccc2n1CC(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c1-19-11(18)6-10-16-8-4-2-3-5-9(8)17(10)7-12(13,14)15/h2-5H,6-7H2,1H3
InChIKeyZBBDVUXNOPMLOK-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.31
Rot. Bonds3

About methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate

methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate (PubChem CID 79475042) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate
PubChem CID79475042
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate
SMILESCOC(=O)Cc1nc2ccccc2n1CC(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c1-19-11(18)6-10-16-8-4-2-3-5-9(8)17(10)7-12(13,14)15/h2-5H,6-7H2,1H3
InChIKeyZBBDVUXNOPMLOK-UHFFFAOYSA-N
XLogP2.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine
CID 55220163
2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine
CID 64673399
tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate
CID 129052197
methyl 3-[2-(2-amino-2-sulfanylideneethyl)benzimidazol-1-yl]-2,2-dimethylpropanoate
CID 79621176
methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate
CID 79629566
methyl 2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetate
CID 859540
methyl 4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoate
CID 56791848
methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate
CID 63106730
methyl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995551
methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate
CID 63106914
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
methyl 2-[2-[2-(2-methylpropanoylamino)ethyl]benzimidazol-1-yl]acetate
CID 16974953

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate (CID 79475042) is methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate is COC(=O)Cc1nc2ccccc2n1CC(F)(F)F.
What is the InChIKey of methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate?
The InChIKey is ZBBDVUXNOPMLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-19-11(18)6-10-16-8-4-2-3-5-9(8)17(10)7-12(13,14)15/h2-5H,6-7H2,1H3.
What are the key properties of methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate?
methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate has a molecular weight of 272.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate is sourced from PubChem (CID 79475042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).