5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one

C13H14F3N3O — CID 79960663

IUPAC5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-2-7-19-10(11(17)18-12(19)20)8-5-3-4-6-9(8)13(14,15)16/h3-6,10H,2,7H2,1H3,(H2,17,18,20)
InChIKeyJJEGTFKVNQIUHU-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.95
Rot. Bonds3

About 5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one

5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one (PubChem CID 79960663) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one
PubChem CID79960663
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-2-7-19-10(11(17)18-12(19)20)8-5-3-4-6-9(8)13(14,15)16/h3-6,10H,2,7H2,1H3,(H2,17,18,20)
InChIKeyJJEGTFKVNQIUHU-UHFFFAOYSA-N
XLogP2.95
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one (CID 79960663) is 5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1ccccc1C(F)(F)F.
What is the InChIKey of 5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
The InChIKey is JJEGTFKVNQIUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-2-7-19-10(11(17)18-12(19)20)8-5-3-4-6-9(8)13(14,15)16/h3-6,10H,2,7H2,1H3,(H2,17,18,20).
What are the key properties of 5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one has a molecular weight of 285.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one is sourced from PubChem (CID 79960663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).