2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole

C13H13F3N2O — CID 81455819

IUPAC2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCC1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)O1
InChIInChI=1S/C13H13F3N2O/c1-7-2-5-11(19-7)12-17-9-4-3-8(13(14,15)16)6-10(9)18-12/h3-4,6-7,11H,2,5H2,1H3,(H,17,18)
InChIKeySLTNFTSHISWPNH-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.82
Rot. Bonds1

About 2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole

2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 81455819) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID81455819
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCC1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)O1
InChIInChI=1S/C13H13F3N2O/c1-7-2-5-11(19-7)12-17-9-4-3-8(13(14,15)16)6-10(9)18-12/h3-4,6-7,11H,2,5H2,1H3,(H,17,18)
InChIKeySLTNFTSHISWPNH-UHFFFAOYSA-N
XLogP3.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole (CID 81455819) is 2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole is CC1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)O1.
What is the InChIKey of 2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is SLTNFTSHISWPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-7-2-5-11(19-7)12-17-9-4-3-8(13(14,15)16)6-10(9)18-12/h3-4,6-7,11H,2,5H2,1H3,(H,17,18).
What are the key properties of 2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 270.25 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 81455819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).