6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one

C15H18F3N3O — CID 72879415

IUPAC6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1Cc1cncn1CC(C)C
InChIInChI=1S/C15H18F3N3O/c1-10(2)7-20-9-19-6-13(20)8-21-11(3)4-12(5-14(21)22)15(16,17)18/h4-6,9-10H,7-8H2,1-3H3
InChIKeyUEDFVVRXRPYIJF-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.08
Rot. Bonds4

About 6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one

6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one (PubChem CID 72879415) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one
PubChem CID72879415
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1Cc1cncn1CC(C)C
InChIInChI=1S/C15H18F3N3O/c1-10(2)7-20-9-19-6-13(20)8-21-11(3)4-12(5-14(21)22)15(16,17)18/h4-6,9-10H,7-8H2,1-3H3
InChIKeyUEDFVVRXRPYIJF-UHFFFAOYSA-N
XLogP3.08
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one (CID 72879415) is 6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)cc(=O)n1Cc1cncn1CC(C)C.
What is the InChIKey of 6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is UEDFVVRXRPYIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-10(2)7-20-9-19-6-13(20)8-21-11(3)4-12(5-14(21)22)15(16,17)18/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one?
6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 313.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72879415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).