5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one

C10H8F3N3O — CID 79959708

IUPAC5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H8F3N3O/c1-16-8(9(14)15-10(16)17)4-2-5(11)7(13)6(12)3-4/h2-3,8H,1H3,(H2,14,15,17)
InChIKeyCAUSKGGHANFJOX-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.57
Rot. Bonds1

About 5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one

5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one (PubChem CID 79959708) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one
PubChem CID79959708
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H8F3N3O/c1-16-8(9(14)15-10(16)17)4-2-5(11)7(13)6(12)3-4/h2-3,8H,1H3,(H2,14,15,17)
InChIKeyCAUSKGGHANFJOX-UHFFFAOYSA-N
XLogP1.57
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one (CID 79959708) is 5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one is CN1C(=O)N=C(N)C1c1cc(F)c(F)c(F)c1.
What is the InChIKey of 5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one?
The InChIKey is CAUSKGGHANFJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-16-8(9(14)15-10(16)17)4-2-5(11)7(13)6(12)3-4/h2-3,8H,1H3,(H2,14,15,17).
What are the key properties of 5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one?
5-amino-3-methyl-4-(3,4,5-trifluorophenyl)-4H-imidazol-2-one has a molecular weight of 243.19 g/mol, XLogP of 1.57, 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-(3,4,5-trifluorophenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79959708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).