4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one

C10H16F3N3O — CID 116536458

IUPAC4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1(C)CCCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-3-16-8(17)15-7(14)9(16,2)5-4-6-10(11,12)13/h3-6H2,1-2H3,(H2,14,15,17)
InChIKeyCJHNEPZTQKQSDA-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.29
Rot. Bonds4

About 4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one

4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one (PubChem CID 116536458) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one.

Molecular Properties

Compound Name4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
PubChem CID116536458
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1(C)CCCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-3-16-8(17)15-7(14)9(16,2)5-4-6-10(11,12)13/h3-6H2,1-2H3,(H2,14,15,17)
InChIKeyCJHNEPZTQKQSDA-UHFFFAOYSA-N
XLogP2.29
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
The IUPAC name of 4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one (CID 116536458) is 4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one.
What is the SMILES notation for 4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
The canonical SMILES for 4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one is CCN1C(=O)N=C(N)C1(C)CCCC(F)(F)F.
What is the InChIKey of 4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
The InChIKey is CJHNEPZTQKQSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-3-16-8(17)15-7(14)9(16,2)5-4-6-10(11,12)13/h3-6H2,1-2H3,(H2,14,15,17).
What are the key properties of 4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one has a molecular weight of 251.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one is sourced from PubChem (CID 116536458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).