1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one

C11H10F2N2O2 — CID 90970377

IUPAC1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one
SMILESCn1c(O)cn(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C11H10F2N2O2/c1-14-10(16)6-15(11(14)17)5-7-2-3-8(12)4-9(7)13/h2-4,6,16H,5H2,1H3
InChIKeyNLSRNHYOUPMMLW-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.22
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one

1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one (PubChem CID 90970377) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one
PubChem CID90970377
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one
SMILESCn1c(O)cn(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C11H10F2N2O2/c1-14-10(16)6-15(11(14)17)5-7-2-3-8(12)4-9(7)13/h2-4,6,16H,5H2,1H3
InChIKeyNLSRNHYOUPMMLW-UHFFFAOYSA-N
XLogP1.22
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2,3-dihydro-1H-imidazol-2-one
CID 2817661
2-Butyl-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 25125799
2-Ethyl-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 70696508
1-benzyl-3-hydroxy-2,3-dihydro-1H-imidazol-2-one
CID 44541206
1,3-Dihydro-1-methyl-4-phenyl-2H-imidazol-2-one
CID 20668706
1-Benzyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 13114197
1-methyl-5-phenyl-2,3-dihydro-1H-imidazol-2-one
CID 13665716
Hydantoin Derivative 37
CID 53631029
N-benzyl-N,N',N'-triethylurea
CID 2990170
2-[3-[(2,6-Difluorophenyl)methyl]-2,4-dioxo-pyrimidin-1-yl]acetonitrile
CID 15958289
2-[3-[(3,5-Difluorophenyl)methyl]-2,4-dioxo-pyrimidin-1-yl]acetonitrile
CID 15958290
1,3-Dimethyl-1-propan-2-yl-3-[(2,3,5-trifluorophenyl)methyl]urea
CID 121440015

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one (CID 90970377) is 1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one is Cn1c(O)cn(Cc2ccc(F)cc2F)c1=O.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one?
The InChIKey is NLSRNHYOUPMMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-14-10(16)6-15(11(14)17)5-7-2-3-8(12)4-9(7)13/h2-4,6,16H,5H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one?
1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one has a molecular weight of 240.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-4-hydroxy-3-methylimidazol-2-one is sourced from PubChem (CID 90970377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).