1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole

C14H16N2O — CID 762621

IUPAC1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole
SMILESC=CCc1ccccc1OCCn1ccnc1
InChIInChI=1S/C14H16N2O/c1-2-5-13-6-3-4-7-14(13)17-11-10-16-9-8-15-12-16/h2-4,6-9,12H,1,5,10-11H2
InChIKeyGPTVDKAAFOCJDF-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.69
Rot. Bonds6

About 1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole

1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole (PubChem CID 762621) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole
PubChem CID762621
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole
SMILESC=CCc1ccccc1OCCn1ccnc1
InChIInChI=1S/C14H16N2O/c1-2-5-13-6-3-4-7-14(13)17-11-10-16-9-8-15-12-16/h2-4,6-9,12H,1,5,10-11H2
InChIKeyGPTVDKAAFOCJDF-UHFFFAOYSA-N
XLogP2.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Skf 96365
CID 104955
Neticonazole
CID 5282433
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
2-Propanol, 3-(dimethylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069781
SKF-96365 free base
CID 104956
1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
(2-methoxyphenyl)(1-methyl-1H-imidazol-2-yl)methanol
CID 2870390
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
1-[2-(2-methoxyphenoxy)ethyl]-1H-imidazole
CID 868517
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole (CID 762621) is 1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole is C=CCc1ccccc1OCCn1ccnc1.
What is the InChIKey of 1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole?
The InChIKey is GPTVDKAAFOCJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-5-13-6-3-4-7-14(13)17-11-10-16-9-8-15-12-16/h2-4,6-9,12H,1,5,10-11H2.
What are the key properties of 1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole?
1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole has a molecular weight of 228.30 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-prop-2-enylphenoxy)ethyl]imidazole is sourced from PubChem (CID 762621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).