1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol

C14H15FN2O — CID 123729381

IUPAC1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol
SMILESC=CC(O)c1cncn1C(C)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O/c1-3-14(18)13-8-16-9-17(13)10(2)11-4-6-12(15)7-5-11/h3-10,14,18H,1H2,2H3
InChIKeyIZCSFRHLZREFOZ-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.85
Rot. Bonds4

About 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol

1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol (PubChem CID 123729381) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol
PubChem CID123729381
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol
SMILESC=CC(O)c1cncn1C(C)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O/c1-3-14(18)13-8-16-9-17(13)10(2)11-4-6-12(15)7-5-11/h3-10,14,18H,1H2,2H3
InChIKeyIZCSFRHLZREFOZ-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-5-hydroxymethyl-1H-imidazole
CID 2773235
1-(4-Cyanobenzyl)-5-hydroxymethyl-1H-imidazole
CID 10198247
3-(1-Benzyl-1H-imidazol-5-yl)-1-propanol
CID 45103805
[1-benzyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methanol
CID 2795488
(3-Benzyl-2-prop-2-enylsulfanylimidazol-4-yl)methanol
CID 3849965
(1-methyl-2-phenyl-1H-imidazol-5-yl)methanol
CID 320833
3-[1-(4-Fluorobenzyl)-1H-imidazol-5-yl]-1-propanol
CID 44206480
[1-methyl-2-(propan-2-yl)-1H-imidazol-5-yl](phenyl)methanol
CID 3291165
Desethyl-etomidate
CID 297427
(2-Phenyl-1H-imidazol-5-yl)methanol
CID 10080865
[1-(triphenylmethyl)-1H-imidazol-4-yl]methanol
CID 382182
{2-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-imidazol-5-yl}methanol
CID 2774447

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol?
The IUPAC name of 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol (CID 123729381) is 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol.
What is the SMILES notation for 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol?
The canonical SMILES for 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol is C=CC(O)c1cncn1C(C)c1ccc(F)cc1.
What is the InChIKey of 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol?
The InChIKey is IZCSFRHLZREFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-3-14(18)13-8-16-9-17(13)10(2)11-4-6-12(15)7-5-11/h3-10,14,18H,1H2,2H3.
What are the key properties of 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol?
1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol has a molecular weight of 246.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 123729381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).