1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone

C13H14N2O2 — CID 43162822

IUPAC1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone
SMILESCCOc1ccccc1C(=O)Cc1ncc[nH]1
InChIInChI=1S/C13H14N2O2/c1-2-17-12-6-4-3-5-10(12)11(16)9-13-14-7-8-15-13/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyZZWUJILEPFHVKS-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.23
Rot. Bonds5

About 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone

1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone (PubChem CID 43162822) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone
PubChem CID43162822
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone
SMILESCCOc1ccccc1C(=O)Cc1ncc[nH]1
InChIInChI=1S/C13H14N2O2/c1-2-17-12-6-4-3-5-10(12)11(16)9-13-14-7-8-15-13/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyZZWUJILEPFHVKS-UHFFFAOYSA-N
XLogP2.23
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone (CID 43162822) is 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone is CCOc1ccccc1C(=O)Cc1ncc[nH]1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone?
The InChIKey is ZZWUJILEPFHVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-17-12-6-4-3-5-10(12)11(16)9-13-14-7-8-15-13/h3-8H,2,9H2,1H3,(H,14,15).
What are the key properties of 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone?
1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone has a molecular weight of 230.27 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 43162822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).