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

C12H11F3N2O2 — CID 139815584

IUPAC2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C12H11F3N2O2/c1-8(18)19-7-6-17-10-5-3-2-4-9(10)16-11(17)12(13,14)15/h2-5H,6-7H2,1H3
InChIKeyPODJUHVYYMFRHC-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.62
Rot. Bonds3

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

2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate (PubChem CID 139815584) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate
PubChem CID139815584
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C12H11F3N2O2/c1-8(18)19-7-6-17-10-5-3-2-4-9(10)16-11(17)12(13,14)15/h2-5H,6-7H2,1H3
InChIKeyPODJUHVYYMFRHC-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate?
The IUPAC name of 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate (CID 139815584) is 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate.
What is the SMILES notation for 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate?
The canonical SMILES for 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate is CC(=O)OCCn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate?
The InChIKey is PODJUHVYYMFRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-8(18)19-7-6-17-10-5-3-2-4-9(10)16-11(17)12(13,14)15/h2-5H,6-7H2,1H3.
What are the key properties of 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate?
2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate has a molecular weight of 272.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl acetate is sourced from PubChem (CID 139815584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).