3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole

C5H7F3N2O — CID 173057070

IUPAC3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole
SMILESCN1CNC=C1OC(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-10-3-9-2-4(10)11-5(6,7)8/h2,9H,3H2,1H3
InChIKeyFTNQGTILFJGPNL-UHFFFAOYSA-N
MW168.12 g/mol
LogP0.81
Rot. Bonds1

About 3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole

3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole (PubChem CID 173057070) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole
PubChem CID173057070
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole
SMILESCN1CNC=C1OC(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-10-3-9-2-4(10)11-5(6,7)8/h2,9H,3H2,1H3
InChIKeyFTNQGTILFJGPNL-UHFFFAOYSA-N
XLogP0.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole?
The IUPAC name of 3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole (CID 173057070) is 3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole.
What is the SMILES notation for 3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole?
The canonical SMILES for 3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole is CN1CNC=C1OC(F)(F)F.
What is the InChIKey of 3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole?
The InChIKey is FTNQGTILFJGPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O/c1-10-3-9-2-4(10)11-5(6,7)8/h2,9H,3H2,1H3.
What are the key properties of 3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole?
3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole has a molecular weight of 168.12 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole is sourced from PubChem (CID 173057070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).