ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate

C16H18N2O6 — CID 135923786

IUPACethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCOc2ccc(C(=O)OC)cc2)c1O
InChIInChI=1S/C16H18N2O6/c1-3-23-16(21)13-14(19)18(10-17-13)8-9-24-12-6-4-11(5-7-12)15(20)22-2/h4-7,10,19H,3,8-9H2,1-2H3
InChIKeyLVOIKKRXQOVEPO-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.63
Rot. Bonds7

About ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate

ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate (PubChem CID 135923786) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate
PubChem CID135923786
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Nameethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCOc2ccc(C(=O)OC)cc2)c1O
InChIInChI=1S/C16H18N2O6/c1-3-23-16(21)13-14(19)18(10-17-13)8-9-24-12-6-4-11(5-7-12)15(20)22-2/h4-7,10,19H,3,8-9H2,1-2H3
InChIKeyLVOIKKRXQOVEPO-UHFFFAOYSA-N
XLogP1.63
TPSA99.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[2-(1,2,4-triazol-1-yl)ethoxy]benzoate
CID 13457584
methyl 4-[2-(2-butoxy-6-methylpurin-9-yl)ethoxy]benzoate
CID 143113072
methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate
CID 55841019
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419
ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate
CID 103408920
methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate
CID 103544901
methyl 4-(4-propanoyloxybutoxy)benzoate
CID 58898433
methyl 4-dec-4-enoxybenzoate
CID 54171291
methyl 4-[(E)-dec-4-enoxy]benzoate
CID 18521044
ethyl 5-[3-[3-(4-methoxycarbonylphenoxy)propoxy]phenyl]-2H-triazole-4-carboxylate
CID 169401641
methyl 4-[2-(fluoroamino)ethoxy]benzoate
CID 143872134
methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate
CID 2216531

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate (CID 135923786) is ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate is CCOC(=O)c1ncn(CCOc2ccc(C(=O)OC)cc2)c1O.
What is the InChIKey of ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate?
The InChIKey is LVOIKKRXQOVEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-3-23-16(21)13-14(19)18(10-17-13)8-9-24-12-6-4-11(5-7-12)15(20)22-2/h4-7,10,19H,3,8-9H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate?
ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 135923786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).