1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one

C12H11F3N2O — CID 116624448

IUPAC1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
SMILESCn1ccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C12H11F3N2O/c1-16-6-7-17(11(16)18)8-9-2-4-10(5-3-9)12(13,14)15/h2-7H,8H2,1H3
InChIKeyUCYLCTZLIHNGJZ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.25
Rot. Bonds2

About 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one

1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one (PubChem CID 116624448) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
PubChem CID116624448
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
SMILESCn1ccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C12H11F3N2O/c1-16-6-7-17(11(16)18)8-9-2-4-10(5-3-9)12(13,14)15/h2-7H,8H2,1H3
InChIKeyUCYLCTZLIHNGJZ-UHFFFAOYSA-N
XLogP2.25
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one (CID 116624448) is 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one is Cn1ccn(Cc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one?
The InChIKey is UCYLCTZLIHNGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-16-6-7-17(11(16)18)8-9-2-4-10(5-3-9)12(13,14)15/h2-7H,8H2,1H3.
What are the key properties of 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one?
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one has a molecular weight of 256.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 116624448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).