1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol

C11H10ClFN2O — CID 156700970

IUPAC1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H10ClFN2O/c12-9-2-1-8(5-10(9)13)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
InChIKeyQUEPROOZYYTZDP-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.41
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol

1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol (PubChem CID 156700970) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol
PubChem CID156700970
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H10ClFN2O/c12-9-2-1-8(5-10(9)13)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
InChIKeyQUEPROOZYYTZDP-UHFFFAOYSA-N
XLogP2.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine;dihydrochloride
CID 19429517
1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol
CID 20525170
1-(2,6-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760610
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol
CID 166313639
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659
4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336
[1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate
CID 21422263
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole
CID 21402194

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol (CID 156700970) is 1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol is OC(Cn1ccnc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol?
The InChIKey is QUEPROOZYYTZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c12-9-2-1-8(5-10(9)13)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol?
1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol has a molecular weight of 240.67 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 156700970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).