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

C10H9F2N3O — CID 115582455

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1nccn1C(F)F
InChIInChI=1S/C10H9F2N3O/c11-10(12)15-6-4-13-8(15)7-14-5-2-1-3-9(14)16/h1-6,10H,7H2
InChIKeyUUIFDPSSPBEIKN-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.49
Rot. Bonds3

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

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one (PubChem CID 115582455) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one
PubChem CID115582455
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1nccn1C(F)F
InChIInChI=1S/C10H9F2N3O/c11-10(12)15-6-4-13-8(15)7-14-5-2-1-3-9(14)16/h1-6,10H,7H2
InChIKeyUUIFDPSSPBEIKN-UHFFFAOYSA-N
XLogP1.49
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.49
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]pyridin-2-one?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one (CID 115582455) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one is O=c1ccccn1Cc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one?
The InChIKey is UUIFDPSSPBEIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-10(12)15-6-4-13-8(15)7-14-5-2-1-3-9(14)16/h1-6,10H,7H2.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one has a molecular weight of 225.20 g/mol, XLogP of 1.49, 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]pyridin-2-one is sourced from PubChem (CID 115582455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).