2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole

C9H9F3N2 — CID 175894186

IUPAC2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole
SMILESFC(F)(F)Cc1nc2c([nH]1)=CCCC=2
InChIInChI=1S/C9H9F3N2/c10-9(11,12)5-8-13-6-3-1-2-4-7(6)14-8/h3-4H,1-2,5H2,(H,13,14)
InChIKeyISXVINNPNJDENL-UHFFFAOYSA-N
MW202.18 g/mol
LogP0.87
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole

2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole (PubChem CID 175894186) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole
PubChem CID175894186
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole
SMILESFC(F)(F)Cc1nc2c([nH]1)=CCCC=2
InChIInChI=1S/C9H9F3N2/c10-9(11,12)5-8-13-6-3-1-2-4-7(6)14-8/h3-4H,1-2,5H2,(H,13,14)
InChIKeyISXVINNPNJDENL-UHFFFAOYSA-N
XLogP0.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole (CID 175894186) is 2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole is FC(F)(F)Cc1nc2c([nH]1)=CCCC=2.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole?
The InChIKey is ISXVINNPNJDENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c10-9(11,12)5-8-13-6-3-1-2-4-7(6)14-8/h3-4H,1-2,5H2,(H,13,14).
What are the key properties of 2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole?
2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole has a molecular weight of 202.18 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole is sourced from PubChem (CID 175894186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).