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

C12H11FN2O — CID 43797893

IUPAC1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1CC(=O)c1cccc(F)c1
InChIInChI=1S/C12H11FN2O/c1-9-14-5-6-15(9)8-12(16)10-3-2-4-11(13)7-10/h2-7H,8H2,1H3
InChIKeyKHIZNEQTYXJRPB-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.21
Rot. Bonds3

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

1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone (PubChem CID 43797893) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone
PubChem CID43797893
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1CC(=O)c1cccc(F)c1
InChIInChI=1S/C12H11FN2O/c1-9-14-5-6-15(9)8-12(16)10-3-2-4-11(13)7-10/h2-7H,8H2,1H3
InChIKeyKHIZNEQTYXJRPB-UHFFFAOYSA-N
XLogP2.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone (CID 43797893) is 1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone is Cc1nccn1CC(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone?
The InChIKey is KHIZNEQTYXJRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-9-14-5-6-15(9)8-12(16)10-3-2-4-11(13)7-10/h2-7H,8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone?
1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone has a molecular weight of 218.23 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 43797893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).