2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one

C12H12ClFN2O — CID 106952659

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(Cc2cccc(Cl)c2F)NC1=O
InChIInChI=1S/C12H12ClFN2O/c1-2-9-12(17)16-10(15-9)6-7-4-3-5-8(13)11(7)14/h3-5,9H,2,6H2,1H3,(H,15,16,17)
InChIKeyWYYAMJRQJPHXIR-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.33
Rot. Bonds3

About 2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one

2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one (PubChem CID 106952659) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one
PubChem CID106952659
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(Cc2cccc(Cl)c2F)NC1=O
InChIInChI=1S/C12H12ClFN2O/c1-2-9-12(17)16-10(15-9)6-7-4-3-5-8(13)11(7)14/h3-5,9H,2,6H2,1H3,(H,15,16,17)
InChIKeyWYYAMJRQJPHXIR-UHFFFAOYSA-N
XLogP2.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952128
2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one
CID 106952576
2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952168
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952082
2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 82802809
4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine
CID 82807355
1-[(3-chloro-2-fluorophenyl)methyl]-3-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 102862934
2-[(2S)-5-[(3-chloro-2-fluorophenyl)methyl]-3,6-dioxopiperazin-2-yl]acetic acid
CID 167771577
1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 102858759
1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-one
CID 102857196
(E)-1-(3-chloro-2-fluorophenyl)hex-3-en-2-one
CID 103454419
5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62067040

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one (CID 106952659) is 2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one is CCC1N=C(Cc2cccc(Cl)c2F)NC1=O.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one?
The InChIKey is WYYAMJRQJPHXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-2-9-12(17)16-10(15-9)6-7-4-3-5-8(13)11(7)14/h3-5,9H,2,6H2,1H3,(H,15,16,17).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one?
2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one has a molecular weight of 254.69 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).