1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone

C11H9FN2O — CID 6481672

IUPAC1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O/c12-9-3-1-8(2-4-9)10(15)7-11-13-5-6-14-11/h1-6H,7H2,(H,13,14)
InChIKeyDBUNPJNOZPSMQB-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.97
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone

1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone (PubChem CID 6481672) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone
PubChem CID6481672
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O/c12-9-3-1-8(2-4-9)10(15)7-11-13-5-6-14-11/h1-6H,7H2,(H,13,14)
InChIKeyDBUNPJNOZPSMQB-UHFFFAOYSA-N
XLogP1.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethan-1-one
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[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl][3-(trifluoromethyl)phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone (CID 6481672) is 1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone is O=C(Cc1ncc[nH]1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone?
The InChIKey is DBUNPJNOZPSMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-9-3-1-8(2-4-9)10(15)7-11-13-5-6-14-11/h1-6H,7H2,(H,13,14).
What are the key properties of 1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone?
1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone has a molecular weight of 204.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 6481672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).