1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one

C11H11F2N3O — CID 115647620

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2nccn2C(F)F)c(=O)c1
InChIInChI=1S/C11H11F2N3O/c1-8-2-4-15(10(17)6-8)7-9-14-3-5-16(9)11(12)13/h2-6,11H,7H2,1H3
InChIKeyHOTJCCSVSKQVPA-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.80
Rot. Bonds3

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one (PubChem CID 115647620) 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]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one
PubChem CID115647620
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2nccn2C(F)F)c(=O)c1
InChIInChI=1S/C11H11F2N3O/c1-8-2-4-15(10(17)6-8)7-9-14-3-5-16(9)11(12)13/h2-6,11H,7H2,1H3
InChIKeyHOTJCCSVSKQVPA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one (CID 115647620) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one is Cc1ccn(Cc2nccn2C(F)F)c(=O)c1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one?
The InChIKey is HOTJCCSVSKQVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-8-2-4-15(10(17)6-8)7-9-14-3-5-16(9)11(12)13/h2-6,11H,7H2,1H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-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]-4-methylpyridin-2-one is sourced from PubChem (CID 115647620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).