5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one

C12H14FN3O — CID 79967091

IUPAC5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccc(C)c(F)c1
InChIInChI=1S/C12H14FN3O/c1-3-16-10(11(14)15-12(16)17)8-5-4-7(2)9(13)6-8/h4-6,10H,3H2,1-2H3,(H2,14,15,17)
InChIKeyCWYHTGYKXNMYCT-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.99
Rot. Bonds2

About 5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one

5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one (PubChem CID 79967091) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one
PubChem CID79967091
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccc(C)c(F)c1
InChIInChI=1S/C12H14FN3O/c1-3-16-10(11(14)15-12(16)17)8-5-4-7(2)9(13)6-8/h4-6,10H,3H2,1-2H3,(H2,14,15,17)
InChIKeyCWYHTGYKXNMYCT-UHFFFAOYSA-N
XLogP1.99
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one (CID 79967091) is 5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one is CCN1C(=O)N=C(N)C1c1ccc(C)c(F)c1.
What is the InChIKey of 5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one?
The InChIKey is CWYHTGYKXNMYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-16-10(11(14)15-12(16)17)8-5-4-7(2)9(13)6-8/h4-6,10H,3H2,1-2H3,(H2,14,15,17).
What are the key properties of 5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one?
5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one has a molecular weight of 235.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79967091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).