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

C12H10ClFN2O — CID 107996510

IUPAC1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H10ClFN2O/c1-16-5-4-15-12(16)7-11(17)8-2-3-9(13)10(14)6-8/h2-6H,7H2,1H3
InChIKeyHVIKMJOHOZJGLZ-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.64
Rot. Bonds3

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

1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 107996510) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID107996510
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H10ClFN2O/c1-16-5-4-15-12(16)7-11(17)8-2-3-9(13)10(14)6-8/h2-6H,7H2,1H3
InChIKeyHVIKMJOHOZJGLZ-UHFFFAOYSA-N
XLogP2.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784448
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784488
2-(1-methylimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 12049984
1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79743921
2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 115580311
1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784443
1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
2-(1-methylimidazol-2-yl)-1-pyridazin-4-ylethanone
CID 105116274
1-(4-amino-3-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116547180
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784458

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone (CID 107996510) is 1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1CC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is HVIKMJOHOZJGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-16-5-4-15-12(16)7-11(17)8-2-3-9(13)10(14)6-8/h2-6H,7H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone?
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 252.68 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 107996510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).