ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate

C16H20N2O3 — CID 70506701

IUPACethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccccc1Cc1ncc[nH]1
InChIInChI=1S/C16H20N2O3/c1-3-13(16(19)20-4-2)21-14-8-6-5-7-12(14)11-15-17-9-10-18-15/h5-10,13H,3-4,11H2,1-2H3,(H,17,18)
InChIKeySLENOOLQSLWJCA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.72
Rot. Bonds7

About ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate

ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate (PubChem CID 70506701) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate
PubChem CID70506701
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccccc1Cc1ncc[nH]1
InChIInChI=1S/C16H20N2O3/c1-3-13(16(19)20-4-2)21-14-8-6-5-7-12(14)11-15-17-9-10-18-15/h5-10,13H,3-4,11H2,1-2H3,(H,17,18)
InChIKeySLENOOLQSLWJCA-UHFFFAOYSA-N
XLogP2.72
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
CID 64669299
(2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 97025150
ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 64669700
2-(1H-imidazol-2-ylmethyl)benzamide
CID 141109927
ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate
CID 18604488
ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
CID 107711619
ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate
CID 64661650
ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
CID 83049068
1-(1H-imidazol-2-yl)-3-phenylpentan-2-one
CID 43162765
ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate
CID 107700382
diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate
CID 139661476
methyl 2-(2-prop-2-enylphenoxy)butanoate
CID 59918636

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate?
The IUPAC name of ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate (CID 70506701) is ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate.
What is the SMILES notation for ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate?
The canonical SMILES for ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate is CCOC(=O)C(CC)Oc1ccccc1Cc1ncc[nH]1.
What is the InChIKey of ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate?
The InChIKey is SLENOOLQSLWJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-13(16(19)20-4-2)21-14-8-6-5-7-12(14)11-15-17-9-10-18-15/h5-10,13H,3-4,11H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate?
ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate has a molecular weight of 288.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate is sourced from PubChem (CID 70506701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).