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

C5H7F3N2 — CID 173057165

IUPAC3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole
SMILESCN1CNC=C1C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-10-3-9-2-4(10)5(6,7)8/h2,9H,3H2,1H3
InChIKeyUZIKVWRSLVUSFV-UHFFFAOYSA-N
MW152.12 g/mol
LogP0.88
Rot. Bonds

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

3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole (PubChem CID 173057165) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole
PubChem CID173057165
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole
SMILESCN1CNC=C1C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-10-3-9-2-4(10)5(6,7)8/h2,9H,3H2,1H3
InChIKeyUZIKVWRSLVUSFV-UHFFFAOYSA-N
XLogP0.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole?
The IUPAC name of 3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole (CID 173057165) is 3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole is CN1CNC=C1C(F)(F)F.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole?
The InChIKey is UZIKVWRSLVUSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-10-3-9-2-4(10)5(6,7)8/h2,9H,3H2,1H3.
What are the key properties of 3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole?
3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole has a molecular weight of 152.12 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)-1,2-dihydroimidazole is sourced from PubChem (CID 173057165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).