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

C11H10F3N3O — CID 79959916

IUPAC5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c1-17-8(9(15)16-10(17)18)6-4-2-3-5-7(6)11(12,13)14/h2-5,8H,1H3,(H2,15,16,18)
InChIKeyRLJHZULPYWXAMJ-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.17
Rot. Bonds1

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

5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one (PubChem CID 79959916) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one
PubChem CID79959916
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c1-17-8(9(15)16-10(17)18)6-4-2-3-5-7(6)11(12,13)14/h2-5,8H,1H3,(H2,15,16,18)
InChIKeyRLJHZULPYWXAMJ-UHFFFAOYSA-N
XLogP2.17
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one (CID 79959916) is 5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one is CN1C(=O)N=C(N)C1c1ccccc1C(F)(F)F.
What is the InChIKey of 5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
The InChIKey is RLJHZULPYWXAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-17-8(9(15)16-10(17)18)6-4-2-3-5-7(6)11(12,13)14/h2-5,8H,1H3,(H2,15,16,18).
What are the key properties of 5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one has a molecular weight of 257.22 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one is sourced from PubChem (CID 79959916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).