1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate

C19H13F3N2O3 — CID 34155699

IUPAC1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1cc2ccccc2o1
InChIInChI=1S/C19H13F3N2O3/c20-19(21,22)18-23-14-6-2-3-7-15(14)24(18)10-17(25)26-11-13-9-12-5-1-4-8-16(12)27-13/h1-9H,10-11H2
InChIKeyJVRJPLRLNLWXPR-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.54
Rot. Bonds4

About 1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate

1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate (PubChem CID 34155699) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Name1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
PubChem CID34155699
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Name1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1cc2ccccc2o1
InChIInChI=1S/C19H13F3N2O3/c20-19(21,22)18-23-14-6-2-3-7-15(14)24(18)10-17(25)26-11-13-9-12-5-1-4-8-16(12)27-13/h1-9H,10-11H2
InChIKeyJVRJPLRLNLWXPR-UHFFFAOYSA-N
XLogP4.54
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-oxobenzo[f]chromen-1-yl)methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 3448025
(2-phenyl-1,3-thiazol-5-yl)methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4877188
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 29348413
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 46806056
[2-(benzylamino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4779634
[2-(1-adamantyl)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 5114931
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 46814588
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4541562
1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate
CID 134026431
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 29242867
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 46607524
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The IUPAC name of 1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate (CID 34155699) is 1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for 1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The canonical SMILES for 1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate is O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The InChIKey is JVRJPLRLNLWXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c20-19(21,22)18-23-14-6-2-3-7-15(14)24(18)10-17(25)26-11-13-9-12-5-1-4-8-16(12)27-13/h1-9H,10-11H2.
What are the key properties of 1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate has a molecular weight of 374.32 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 34155699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).