1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one

C11H11F2N3O — CID 115647619

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2nccn2C(F)F)c1=O
InChIInChI=1S/C11H11F2N3O/c1-8-3-2-5-15(10(8)17)7-9-14-4-6-16(9)11(12)13/h2-6,11H,7H2,1H3
InChIKeyNYLMTBSQBMBNFT-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.80
Rot. Bonds3

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one (PubChem CID 115647619) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one
PubChem CID115647619
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2nccn2C(F)F)c1=O
InChIInChI=1S/C11H11F2N3O/c1-8-3-2-5-15(10(8)17)7-9-14-4-6-16(9)11(12)13/h2-6,11H,7H2,1H3
InChIKeyNYLMTBSQBMBNFT-UHFFFAOYSA-N
XLogP1.80
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-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 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one (CID 115647619) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one is Cc1cccn(Cc2nccn2C(F)F)c1=O.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one?
The InChIKey is NYLMTBSQBMBNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-8-3-2-5-15(10(8)17)7-9-14-4-6-16(9)11(12)13/h2-6,11H,7H2,1H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one has a molecular weight of 239.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one is sourced from PubChem (CID 115647619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).