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

C9H13F3N2O — CID 106953199

IUPAC4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(CCC(F)(F)F)NC1=O
InChIInChI=1S/C9H13F3N2O/c1-5(2)7-8(15)14-6(13-7)3-4-9(10,11)12/h5,7H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyLVHDRUSTXYBZKM-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.88
Rot. Bonds3

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

4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one (PubChem CID 106953199) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
PubChem CID106953199
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(CCC(F)(F)F)NC1=O
InChIInChI=1S/C9H13F3N2O/c1-5(2)7-8(15)14-6(13-7)3-4-9(10,11)12/h5,7H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyLVHDRUSTXYBZKM-UHFFFAOYSA-N
XLogP1.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one (CID 106953199) is 4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one is CC(C)C1N=C(CCC(F)(F)F)NC1=O.
What is the InChIKey of 4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
The InChIKey is LVHDRUSTXYBZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-5(2)7-8(15)14-6(13-7)3-4-9(10,11)12/h5,7H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one has a molecular weight of 222.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).