methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate

C11H9F3N2O2 — CID 701813

IUPACmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C11H9F3N2O2/c1-18-9(17)6-16-8-5-3-2-4-7(8)15-10(16)11(12,13)14/h2-5H,6H2,1H3
InChIKeyCFNRZUOLQSNEOO-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.23
Rot. Bonds2

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

methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate (PubChem CID 701813) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
PubChem CID701813
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Namemethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C11H9F3N2O2/c1-18-9(17)6-16-8-5-3-2-4-7(8)15-10(16)11(12,13)14/h2-5H,6H2,1H3
InChIKeyCFNRZUOLQSNEOO-UHFFFAOYSA-N
XLogP2.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate (CID 701813) is methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate is COC(=O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The InChIKey is CFNRZUOLQSNEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-18-9(17)6-16-8-5-3-2-4-7(8)15-10(16)11(12,13)14/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate has a molecular weight of 258.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 701813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).