1-(4-prop-2-enoxyphenyl)imidazole

C12H12N2O — CID 67611559

IUPAC1-(4-prop-2-enoxyphenyl)imidazole
SMILESC=CCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H12N2O/c1-2-9-15-12-5-3-11(4-6-12)14-8-7-13-10-14/h2-8,10H,1,9H2
InChIKeyTZOPJCONEWYNDX-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.44
Rot. Bonds4

About 1-(4-prop-2-enoxyphenyl)imidazole

1-(4-prop-2-enoxyphenyl)imidazole (PubChem CID 67611559) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(4-prop-2-enoxyphenyl)imidazole.

Molecular Properties

Compound Name1-(4-prop-2-enoxyphenyl)imidazole
PubChem CID67611559
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(4-prop-2-enoxyphenyl)imidazole
SMILESC=CCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H12N2O/c1-2-9-15-12-5-3-11(4-6-12)14-8-7-13-10-14/h2-8,10H,1,9H2
InChIKeyTZOPJCONEWYNDX-UHFFFAOYSA-N
XLogP2.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.44
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

1-(4-hex-5-enoxyphenyl)imidazole
CID 86214589
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
1-(4-prop-2-enylphenyl)imidazole
CID 55274314
4-(4-imidazol-1-ylphenoxy)butan-1-ol
CID 91307784
2-[4-(4-imidazol-1-ylphenoxy)but-2-enyl]isoindole-1,3-dione
CID 67599345
1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride
CID 67689860
tris(4-imidazol-1-ylphenyl) borate
CID 69353024
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
1-(4-fluorophenoxy)-3-(4-imidazol-1-ylphenoxy)propan-2-ol
CID 109414595
6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine
CID 171149152
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine
CID 129036188

Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-2-enoxyphenyl)imidazole?
The IUPAC name of 1-(4-prop-2-enoxyphenyl)imidazole (CID 67611559) is 1-(4-prop-2-enoxyphenyl)imidazole.
What is the SMILES notation for 1-(4-prop-2-enoxyphenyl)imidazole?
The canonical SMILES for 1-(4-prop-2-enoxyphenyl)imidazole is C=CCOc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-prop-2-enoxyphenyl)imidazole?
The InChIKey is TZOPJCONEWYNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-9-15-12-5-3-11(4-6-12)14-8-7-13-10-14/h2-8,10H,1,9H2.
What are the key properties of 1-(4-prop-2-enoxyphenyl)imidazole?
1-(4-prop-2-enoxyphenyl)imidazole has a molecular weight of 200.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-enoxyphenyl)imidazole is sourced from PubChem (CID 67611559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).