1-(difluoromethyl)-3-methylimidazol-2-one

C5H6F2N2O — CID 116624501

IUPAC1-(difluoromethyl)-3-methylimidazol-2-one
SMILESCn1ccn(C(F)F)c1=O
InChIInChI=1S/C5H6F2N2O/c1-8-2-3-9(4(6)7)5(8)10/h2-4H,1H3
InChIKeySVWYNCWDJXXLGY-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.58
Rot. Bonds1

About 1-(difluoromethyl)-3-methylimidazol-2-one

1-(difluoromethyl)-3-methylimidazol-2-one (PubChem CID 116624501) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methylimidazol-2-one
PubChem CID116624501
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name1-(difluoromethyl)-3-methylimidazol-2-one
SMILESCn1ccn(C(F)F)c1=O
InChIInChI=1S/C5H6F2N2O/c1-8-2-3-9(4(6)7)5(8)10/h2-4H,1H3
InChIKeySVWYNCWDJXXLGY-UHFFFAOYSA-N
XLogP0.58
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethyl)-3-methylimidazol-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-(difluoromethyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(difluoromethyl)-3-methylimidazol-2-one (CID 116624501) is 1-(difluoromethyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(difluoromethyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(difluoromethyl)-3-methylimidazol-2-one is Cn1ccn(C(F)F)c1=O.
What is the InChIKey of 1-(difluoromethyl)-3-methylimidazol-2-one?
The InChIKey is SVWYNCWDJXXLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c1-8-2-3-9(4(6)7)5(8)10/h2-4H,1H3.
What are the key properties of 1-(difluoromethyl)-3-methylimidazol-2-one?
1-(difluoromethyl)-3-methylimidazol-2-one has a molecular weight of 148.11 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methylimidazol-2-one is sourced from PubChem (CID 116624501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).