3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole

C5H7F3N2 — CID 123240348

IUPAC3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole
SMILESCN1C=C(C(F)(F)F)NC1
InChIInChI=1S/C5H7F3N2/c1-10-2-4(9-3-10)5(6,7)8/h2,9H,3H2,1H3
InChIKeyNTQDVSSUKLUWDH-UHFFFAOYSA-N
MW152.12 g/mol
LogP0.88
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole

3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole (PubChem CID 123240348) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole
PubChem CID123240348
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole
SMILESCN1C=C(C(F)(F)F)NC1
InChIInChI=1S/C5H7F3N2/c1-10-2-4(9-3-10)5(6,7)8/h2,9H,3H2,1H3
InChIKeyNTQDVSSUKLUWDH-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-5-(trifluoromethyl)-1,2-dihydroimidazole?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole (CID 123240348) is 3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole is CN1C=C(C(F)(F)F)NC1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole?
The InChIKey is NTQDVSSUKLUWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-10-2-4(9-3-10)5(6,7)8/h2,9H,3H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-1,2-dihydroimidazole?
3-methyl-5-(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-5-(trifluoromethyl)-1,2-dihydroimidazole is sourced from PubChem (CID 123240348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).