2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

C13H17F3N2O — CID 114827273

IUPAC2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1CC(c2nc3c([nH]2)CC(C(F)(F)F)CC3)CO1
InChIInChI=1S/C13H17F3N2O/c1-7-4-8(6-19-7)12-17-10-3-2-9(13(14,15)16)5-11(10)18-12/h7-9H,2-6H2,1H3,(H,17,18)
InChIKeyYFVLTUFXKIWPMX-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.97
Rot. Bonds1

About 2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 114827273) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID114827273
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1CC(c2nc3c([nH]2)CC(C(F)(F)F)CC3)CO1
InChIInChI=1S/C13H17F3N2O/c1-7-4-8(6-19-7)12-17-10-3-2-9(13(14,15)16)5-11(10)18-12/h7-9H,2-6H2,1H3,(H,17,18)
InChIKeyYFVLTUFXKIWPMX-UHFFFAOYSA-N
XLogP2.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 114827273) is 2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole is CC1CC(c2nc3c([nH]2)CC(C(F)(F)F)CC3)CO1.
What is the InChIKey of 2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is YFVLTUFXKIWPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-7-4-8(6-19-7)12-17-10-3-2-9(13(14,15)16)5-11(10)18-12/h7-9H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 274.29 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyloxolan-3-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 114827273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).