1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone

C12H10ClFN2O — CID 90327146

IUPAC1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone
SMILESCC(=O)c1ncn(-c2cccc(Cl)c2F)c1C
InChIInChI=1S/C12H10ClFN2O/c1-7-12(8(2)17)15-6-16(7)10-5-3-4-9(13)11(10)14/h3-6H,1-2H3
InChIKeyHVZMSSJPOWDPPI-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.18
Rot. Bonds2

About 1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone

1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone (PubChem CID 90327146) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone
PubChem CID90327146
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone
SMILESCC(=O)c1ncn(-c2cccc(Cl)c2F)c1C
InChIInChI=1S/C12H10ClFN2O/c1-7-12(8(2)17)15-6-16(7)10-5-3-4-9(13)11(10)14/h3-6H,1-2H3
InChIKeyHVZMSSJPOWDPPI-UHFFFAOYSA-N
XLogP3.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-amino-1-(3-chloro-2-fluorophenyl)imidazole-4-carboxylate
CID 103544659
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421466
1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-N-hydroxyimidazole-4-carboxamide;hydroxylamine;hydrochloride
CID 157419948
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
CID 71255447
(4S)-4-[[1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carbonyl]amino]-3,10-dioxo-2,11-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxylic acid
CID 134535130
1-(3-chloro-2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 28968682
1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanone
CID 540378
1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671078
1-(3-chloro-2-fluorophenyl)-5-iodoimidazole-4-carbonitrile
CID 67954872
N-(5-amino-10-methyl-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl)-1-(3-chloro-2-fluorophenyl)-5-methylimidazole-4-carboxamide
CID 123915701
ethyl 5-chloro-1-(3-chloro-2-fluorophenyl)triazole-4-carboxylate
CID 71255453
ethyl 5-amino-1-(3-chloro-2-fluorophenyl)triazole-4-carboxylate
CID 71255710

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone?
The IUPAC name of 1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone (CID 90327146) is 1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone is CC(=O)c1ncn(-c2cccc(Cl)c2F)c1C.
What is the InChIKey of 1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone?
The InChIKey is HVZMSSJPOWDPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-7-12(8(2)17)15-6-16(7)10-5-3-4-9(13)11(10)14/h3-6H,1-2H3.
What are the key properties of 1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone?
1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone has a molecular weight of 252.68 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-2-fluorophenyl)-5-methylimidazol-4-yl]ethanone is sourced from PubChem (CID 90327146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).