1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one

C12H10F4N2O2 — CID 18713620

IUPAC1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one
SMILESCn1ccn(-c2ccc(OC(F)(F)C(F)F)cc2)c1=O
InChIInChI=1S/C12H10F4N2O2/c1-17-6-7-18(11(17)19)8-2-4-9(5-3-8)20-12(15,16)10(13)14/h2-7,10H,1H3
InChIKeyCBGGPUMZBVZYLV-UHFFFAOYSA-N
MW290.22 g/mol
LogP2.41
Rot. Bonds4

About 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one

1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one (PubChem CID 18713620) has the molecular formula C12H10F4N2O2 and a molecular weight of 290.22 g/mol. Its IUPAC name is 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one
PubChem CID18713620
Molecular FormulaC12H10F4N2O2
Molecular Weight290.22 g/mol
Exact Mass290.07
IUPAC Name1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one
SMILESCn1ccn(-c2ccc(OC(F)(F)C(F)F)cc2)c1=O
InChIInChI=1S/C12H10F4N2O2/c1-17-6-7-18(11(17)19)8-2-4-9(5-3-8)20-12(15,16)10(13)14/h2-7,10H,1H3
InChIKeyCBGGPUMZBVZYLV-UHFFFAOYSA-N
XLogP2.41
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-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-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one (CID 18713620) is 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one is Cn1ccn(-c2ccc(OC(F)(F)C(F)F)cc2)c1=O.
What is the InChIKey of 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one?
The InChIKey is CBGGPUMZBVZYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O2/c1-17-6-7-18(11(17)19)8-2-4-9(5-3-8)20-12(15,16)10(13)14/h2-7,10H,1H3.
What are the key properties of 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one?
1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one has a molecular weight of 290.22 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one is sourced from PubChem (CID 18713620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).