ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate

C19H18N2O3 — CID 67207597

IUPACethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C19H18N2O3/c1-2-23-19(22)15-9-7-14(8-10-15)12-24-18-6-4-3-5-16(18)17-11-20-13-21-17/h3-11,13H,2,12H2,1H3,(H,20,21)
InChIKeyCHLHTUDKQXOGQO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.83
Rot. Bonds6

About ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate

ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate (PubChem CID 67207597) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate
PubChem CID67207597
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C19H18N2O3/c1-2-23-19(22)15-9-7-14(8-10-15)12-24-18-6-4-3-5-16(18)17-11-20-13-21-17/h3-11,13H,2,12H2,1H3,(H,20,21)
InChIKeyCHLHTUDKQXOGQO-UHFFFAOYSA-N
XLogP3.83
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine
CID 143884941
N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide
CID 58294111
ethyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 82312048
benzyl 4-(1H-imidazol-5-yl)benzoate
CID 143490963
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
2-[3-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 58294229
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole
CID 52935729
ethyl 4-[2-(2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoate;4-[2-(2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid
CID 158738327
4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole
CID 70925852
4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline
CID 143884976
4-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid
CID 52934164

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate?
The IUPAC name of ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate (CID 67207597) is ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate?
The canonical SMILES for ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate is CCOC(=O)c1ccc(COc2ccccc2-c2cnc[nH]2)cc1.
What is the InChIKey of ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate?
The InChIKey is CHLHTUDKQXOGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-23-19(22)15-9-7-14(8-10-15)12-24-18-6-4-3-5-16(18)17-11-20-13-21-17/h3-11,13H,2,12H2,1H3,(H,20,21).
What are the key properties of ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate?
ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate has a molecular weight of 322.36 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate is sourced from PubChem (CID 67207597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).