2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol

C14H15FN2O — CID 12771346

IUPAC2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol
SMILESC=CCC(O)(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O/c1-2-7-14(18,10-17-9-8-16-11-17)12-3-5-13(15)6-4-12/h2-6,8-9,11,18H,1,7,10H2
InChIKeyQPPOLSSZUZASKN-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.49
Rot. Bonds5

About 2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol

2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol (PubChem CID 12771346) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol
PubChem CID12771346
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol
SMILESC=CCC(O)(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O/c1-2-7-14(18,10-17-9-8-16-11-17)12-3-5-13(15)6-4-12/h2-6,8-9,11,18H,1,7,10H2
InChIKeyQPPOLSSZUZASKN-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 20519440
2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
CID 70569120
1-(4-fluorophenyl)-2-imidazol-1-yl-1-pyridin-2-ylethanol
CID 5302796
2-(4-fluorophenyl)-5-imidazol-1-ylpentan-2-ol
CID 22763069
2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol
CID 15593724
(2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
CID 67853018
1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol
CID 178019194
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)hexan-3-ol
CID 22762796
2-imidazol-1-yl-1-phenyl-1-(4-phenylphenyl)ethanol
CID 13013640
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol
CID 3068282

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol (CID 12771346) is 2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol is C=CCC(O)(Cn1ccnc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol?
The InChIKey is QPPOLSSZUZASKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-2-7-14(18,10-17-9-8-16-11-17)12-3-5-13(15)6-4-12/h2-6,8-9,11,18H,1,7,10H2.
What are the key properties of 2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol?
2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol has a molecular weight of 246.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol is sourced from PubChem (CID 12771346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).