2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one

C11H10ClFN2O — CID 106952082

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(Cc2c(F)cccc2Cl)NC1=O
InChIInChI=1S/C11H10ClFN2O/c1-6-11(16)15-10(14-6)5-7-8(12)3-2-4-9(7)13/h2-4,6H,5H2,1H3,(H,14,15,16)
InChIKeyBOBMCWFBBOBIHU-UHFFFAOYSA-N
MW240.66 g/mol
LogP1.94
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one

2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one (PubChem CID 106952082) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
PubChem CID106952082
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(Cc2c(F)cccc2Cl)NC1=O
InChIInChI=1S/C11H10ClFN2O/c1-6-11(16)15-10(14-6)5-7-8(12)3-2-4-9(7)13/h2-4,6H,5H2,1H3,(H,14,15,16)
InChIKeyBOBMCWFBBOBIHU-UHFFFAOYSA-N
XLogP1.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952168
5-amino-2-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrimidine-4,6-dione
CID 82171081
5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
CID 3024933
5-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-4H-1,2,4-triazol-3-one
CID 171482338
5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66284565
(4R,5S)-2-[(2-chloro-6-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
CID 68568599
5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole
CID 178141813
3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 102944096
(3S,4R)-3-[(2-chloro-6-fluorophenyl)methylamino]-4-methylpiperidin-2-one
CID 124626401
3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-one
CID 135368967
5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83952902
3-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-1,2,4-triazole
CID 115394879

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one (CID 106952082) is 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one is CC1N=C(Cc2c(F)cccc2Cl)NC1=O.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The InChIKey is BOBMCWFBBOBIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-6-11(16)15-10(14-6)5-7-8(12)3-2-4-9(7)13/h2-4,6H,5H2,1H3,(H,14,15,16).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one has a molecular weight of 240.66 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).