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

C12H12N2O2 — CID 112731515

IUPAC(2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone
SMILESCCOc1ccccc1C(=O)c1ncc[nH]1
InChIInChI=1S/C12H12N2O2/c1-2-16-10-6-4-3-5-9(10)11(15)12-13-7-8-14-12/h3-8H,2H2,1H3,(H,13,14)
InChIKeyWBCAFDWLCHNUEC-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.04
Rot. Bonds4

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

(2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone (PubChem CID 112731515) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone
PubChem CID112731515
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone
SMILESCCOc1ccccc1C(=O)c1ncc[nH]1
InChIInChI=1S/C12H12N2O2/c1-2-16-10-6-4-3-5-9(10)11(15)12-13-7-8-14-12/h3-8H,2H2,1H3,(H,13,14)
InChIKeyWBCAFDWLCHNUEC-UHFFFAOYSA-N
XLogP2.04
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone
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[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
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2-ethoxybenzoic acid;zinc
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2-ethoxybenzoyl bromide
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(2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone
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1-(2-ethoxyphenyl)-2-methylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone?
The IUPAC name of (2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone (CID 112731515) is (2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for (2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone?
The canonical SMILES for (2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone is CCOc1ccccc1C(=O)c1ncc[nH]1.
What is the InChIKey of (2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone?
The InChIKey is WBCAFDWLCHNUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-10-6-4-3-5-9(10)11(15)12-13-7-8-14-12/h3-8H,2H2,1H3,(H,13,14).
What are the key properties of (2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone?
(2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone has a molecular weight of 216.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 112731515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).