1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone

C14H9F3N2O2 — CID 71030635

IUPAC1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cc2[nH]1
InChIInChI=1S/C14H9F3N2O2/c1-7(20)13-18-11-5-9(8-2-3-21-6-8)4-10(12(11)19-13)14(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyKTDLHRWGJOIXRM-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.04
Rot. Bonds2

About 1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone

1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone (PubChem CID 71030635) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
PubChem CID71030635
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cc2[nH]1
InChIInChI=1S/C14H9F3N2O2/c1-7(20)13-18-11-5-9(8-2-3-21-6-8)4-10(12(11)19-13)14(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyKTDLHRWGJOIXRM-UHFFFAOYSA-N
XLogP4.04
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone?
The IUPAC name of 1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone (CID 71030635) is 1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone.
What is the SMILES notation for 1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone?
The canonical SMILES for 1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone is CC(=O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cc2[nH]1.
What is the InChIKey of 1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone?
The InChIKey is KTDLHRWGJOIXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c1-7(20)13-18-11-5-9(8-2-3-21-6-8)4-10(12(11)19-13)14(15,16)17/h2-6H,1H3,(H,18,19).
What are the key properties of 1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone?
1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone has a molecular weight of 294.23 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-3-yl)-4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone is sourced from PubChem (CID 71030635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).