1-ethenyl-2-(propoxymethyl)imidazole

C9H14N2O — CID 102357846

IUPAC1-ethenyl-2-(propoxymethyl)imidazole
SMILESC=Cn1ccnc1COCCC
InChIInChI=1S/C9H14N2O/c1-3-7-12-8-9-10-5-6-11(9)4-2/h4-6H,2-3,7-8H2,1H3
InChIKeyCRPQOPDAMIHSBD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds5

About 1-ethenyl-2-(propoxymethyl)imidazole

1-ethenyl-2-(propoxymethyl)imidazole (PubChem CID 102357846) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-ethenyl-2-(propoxymethyl)imidazole.

Molecular Properties

Compound Name1-ethenyl-2-(propoxymethyl)imidazole
PubChem CID102357846
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-ethenyl-2-(propoxymethyl)imidazole
SMILESC=Cn1ccnc1COCCC
InChIInChI=1S/C9H14N2O/c1-3-7-12-8-9-10-5-6-11(9)4-2/h4-6H,2-3,7-8H2,1H3
InChIKeyCRPQOPDAMIHSBD-UHFFFAOYSA-N
XLogP1.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole
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1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium
CID 174813239
2-ethyl-1-prop-1-enylimidazole
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(1-ethenylimidazol-2-yl) formate
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2-(4-methoxybutoxymethyl)-1-[(9Z,12Z)-octadeca-9,12-dienyl]imidazole
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3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 82941127

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(propoxymethyl)imidazole?
The IUPAC name of 1-ethenyl-2-(propoxymethyl)imidazole (CID 102357846) is 1-ethenyl-2-(propoxymethyl)imidazole.
What is the SMILES notation for 1-ethenyl-2-(propoxymethyl)imidazole?
The canonical SMILES for 1-ethenyl-2-(propoxymethyl)imidazole is C=Cn1ccnc1COCCC.
What is the InChIKey of 1-ethenyl-2-(propoxymethyl)imidazole?
The InChIKey is CRPQOPDAMIHSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-7-12-8-9-10-5-6-11(9)4-2/h4-6H,2-3,7-8H2,1H3.
What are the key properties of 1-ethenyl-2-(propoxymethyl)imidazole?
1-ethenyl-2-(propoxymethyl)imidazole has a molecular weight of 166.22 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(propoxymethyl)imidazole is sourced from PubChem (CID 102357846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).