2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole

C15H17F3N2 — CID 81456132

IUPAC2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(CCC3CCCC3)[nH]c2c1
InChIInChI=1S/C15H17F3N2/c16-15(17,18)11-6-7-12-13(9-11)20-14(19-12)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,19,20)
InChIKeyOUIDGMGMFWMVTB-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.70
Rot. Bonds3

About 2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 81456132) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID81456132
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(CCC3CCCC3)[nH]c2c1
InChIInChI=1S/C15H17F3N2/c16-15(17,18)11-6-7-12-13(9-11)20-14(19-12)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,19,20)
InChIKeyOUIDGMGMFWMVTB-UHFFFAOYSA-N
XLogP4.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 81456132) is 2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(CCC3CCCC3)[nH]c2c1.
What is the InChIKey of 2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is OUIDGMGMFWMVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c16-15(17,18)11-6-7-12-13(9-11)20-14(19-12)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,19,20).
What are the key properties of 2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 282.31 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 81456132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).