4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one

C7H9F3N2O — CID 105447788

IUPAC4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one
SMILESCC(C)c1[nH]c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-3(2)4-5(7(8,9)10)12-6(13)11-4/h3H,1-2H3,(H2,11,12,13)
InChIKeyDZGBRNCNTOEELM-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.85
Rot. Bonds1

About 4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one

4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one (PubChem CID 105447788) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one
PubChem CID105447788
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one
SMILESCC(C)c1[nH]c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-3(2)4-5(7(8,9)10)12-6(13)11-4/h3H,1-2H3,(H2,11,12,13)
InChIKeyDZGBRNCNTOEELM-UHFFFAOYSA-N
XLogP1.85
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one (CID 105447788) is 4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one is CC(C)c1[nH]c(=O)[nH]c1C(F)(F)F.
What is the InChIKey of 4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one?
The InChIKey is DZGBRNCNTOEELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-3(2)4-5(7(8,9)10)12-6(13)11-4/h3H,1-2H3,(H2,11,12,13).
What are the key properties of 4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one?
4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one has a molecular weight of 194.16 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 105447788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).