2-(2-ethoxy-1-phenylethyl)-1H-imidazole

C13H16N2O — CID 57296965

IUPAC2-(2-ethoxy-1-phenylethyl)-1H-imidazole
SMILESCCOCC(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C13H16N2O/c1-2-16-10-12(13-14-8-9-15-13)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,14,15)
InChIKeyYIYPDGCVMMKWDO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.58
Rot. Bonds5

About 2-(2-ethoxy-1-phenylethyl)-1H-imidazole

2-(2-ethoxy-1-phenylethyl)-1H-imidazole (PubChem CID 57296965) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2-ethoxy-1-phenylethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-ethoxy-1-phenylethyl)-1H-imidazole
PubChem CID57296965
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(2-ethoxy-1-phenylethyl)-1H-imidazole
SMILESCCOCC(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C13H16N2O/c1-2-16-10-12(13-14-8-9-15-13)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,14,15)
InChIKeyYIYPDGCVMMKWDO-UHFFFAOYSA-N
XLogP2.58
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine
CID 13019465
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CID 103464718
(1R)-1-(1H-imidazol-2-yl)-N-methyl-1-phenylmethanamine
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4-aminooxy-7-(1H-imidazol-2-yl)-7-phenylhept-4-enoic acid
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2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
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[1H-imidazol-2-yl(phenyl)methyl]hydrazine
CID 105251994
2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine
CID 116834897
(2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide
CID 104871611
N-[1H-imidazol-2-yl(phenyl)methyl]-2-methylsulfanylethanamine
CID 86804118
[(2-ethoxyphenyl)-(1H-imidazol-2-yl)methyl]hydrazine
CID 105252010
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
(1-ethoxy-3-methylbutan-2-yl)benzene
CID 67083909

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-1-phenylethyl)-1H-imidazole?
The IUPAC name of 2-(2-ethoxy-1-phenylethyl)-1H-imidazole (CID 57296965) is 2-(2-ethoxy-1-phenylethyl)-1H-imidazole.
What is the SMILES notation for 2-(2-ethoxy-1-phenylethyl)-1H-imidazole?
The canonical SMILES for 2-(2-ethoxy-1-phenylethyl)-1H-imidazole is CCOCC(c1ccccc1)c1ncc[nH]1.
What is the InChIKey of 2-(2-ethoxy-1-phenylethyl)-1H-imidazole?
The InChIKey is YIYPDGCVMMKWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-16-10-12(13-14-8-9-15-13)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,14,15).
What are the key properties of 2-(2-ethoxy-1-phenylethyl)-1H-imidazole?
2-(2-ethoxy-1-phenylethyl)-1H-imidazole has a molecular weight of 216.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-1-phenylethyl)-1H-imidazole is sourced from PubChem (CID 57296965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).