2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole

C14H18N2O — CID 45487145

IUPAC2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole
SMILESC=CCc1ccccc1C(C)OC1=NCCN1
InChIInChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)11(2)17-14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
InChIKeyMCAGSCISRRGDGQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.45
Rot. Bonds4

About 2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole

2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole (PubChem CID 45487145) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole
PubChem CID45487145
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole
SMILESC=CCc1ccccc1C(C)OC1=NCCN1
InChIInChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)11(2)17-14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
InChIKeyMCAGSCISRRGDGQ-UHFFFAOYSA-N
XLogP2.45
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole (CID 45487145) is 2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole is C=CCc1ccccc1C(C)OC1=NCCN1.
What is the InChIKey of 2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole?
The InChIKey is MCAGSCISRRGDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)11(2)17-14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16).
What are the key properties of 2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole?
2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole has a molecular weight of 230.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 45487145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).