3-(3,5-difluorophenyl)-1H-imidazol-2-one

C9H6F2N2O — CID 112708439

IUPAC3-(3,5-difluorophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1cc(F)cc(F)c1
InChIInChI=1S/C9H6F2N2O/c10-6-3-7(11)5-8(4-6)13-2-1-12-9(13)14/h1-5H,(H,12,14)
InChIKeyKXYFZQFZBWZQPT-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.44
Rot. Bonds1

About 3-(3,5-difluorophenyl)-1H-imidazol-2-one

3-(3,5-difluorophenyl)-1H-imidazol-2-one (PubChem CID 112708439) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1H-imidazol-2-one
PubChem CID112708439
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name3-(3,5-difluorophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1cc(F)cc(F)c1
InChIInChI=1S/C9H6F2N2O/c10-6-3-7(11)5-8(4-6)13-2-1-12-9(13)14/h1-5H,(H,12,14)
InChIKeyKXYFZQFZBWZQPT-UHFFFAOYSA-N
XLogP1.44
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one
CID 103125750
3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one
CID 103124142
3-(4-bromo-3-fluorophenyl)-1H-imidazol-2-one
CID 103124099
3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one
CID 107575239
3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one
CID 103124229
3-(4-methylphenyl)-1H-imidazol-2-one
CID 14927424
3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one
CID 103125217
3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one
CID 130486985
3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one
CID 130498049
3-(2-chloro-6-fluorophenyl)-1H-imidazol-2-one
CID 103126060
3-[4-(methylamino)phenyl]-1H-imidazol-2-one
CID 63089666
3-(4-methylsulfonylphenyl)-1H-imidazol-2-one
CID 103125149

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(3,5-difluorophenyl)-1H-imidazol-2-one (CID 112708439) is 3-(3,5-difluorophenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(3,5-difluorophenyl)-1H-imidazol-2-one is O=c1[nH]ccn1-c1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-1H-imidazol-2-one?
The InChIKey is KXYFZQFZBWZQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c10-6-3-7(11)5-8(4-6)13-2-1-12-9(13)14/h1-5H,(H,12,14).
What are the key properties of 3-(3,5-difluorophenyl)-1H-imidazol-2-one?
3-(3,5-difluorophenyl)-1H-imidazol-2-one has a molecular weight of 196.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1H-imidazol-2-one is sourced from PubChem (CID 112708439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).