3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole

C7H11F3N2 — CID 162572546

IUPAC3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole
SMILESCC(C)N1C=C(C(F)(F)F)NC1
InChIInChI=1S/C7H11F3N2/c1-5(2)12-3-6(11-4-12)7(8,9)10/h3,5,11H,4H2,1-2H3
InChIKeyAMTVOBUNQDRAIO-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.66
Rot. Bonds1

About 3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole

3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole (PubChem CID 162572546) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole
PubChem CID162572546
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole
SMILESCC(C)N1C=C(C(F)(F)F)NC1
InChIInChI=1S/C7H11F3N2/c1-5(2)12-3-6(11-4-12)7(8,9)10/h3,5,11H,4H2,1-2H3
InChIKeyAMTVOBUNQDRAIO-UHFFFAOYSA-N
XLogP1.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole?
The IUPAC name of 3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole (CID 162572546) is 3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole is CC(C)N1C=C(C(F)(F)F)NC1.
What is the InChIKey of 3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole?
The InChIKey is AMTVOBUNQDRAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5(2)12-3-6(11-4-12)7(8,9)10/h3,5,11H,4H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole?
3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole has a molecular weight of 180.17 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(trifluoromethyl)-1,2-dihydroimidazole is sourced from PubChem (CID 162572546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).