methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate

C13H14N2O4 — CID 118332629

IUPACmethyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OCC2=NCC=N2)c(OC)c1
InChIInChI=1S/C13H14N2O4/c1-17-11-7-9(13(16)18-2)3-4-10(11)19-8-12-14-5-6-15-12/h3-5,7H,6,8H2,1-2H3
InChIKeyVRCASSXETBHEHO-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.34
Rot. Bonds5

About methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate

methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate (PubChem CID 118332629) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate
PubChem CID118332629
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OCC2=NCC=N2)c(OC)c1
InChIInChI=1S/C13H14N2O4/c1-17-11-7-9(13(16)18-2)3-4-10(11)19-8-12-14-5-6-15-12/h3-5,7H,6,8H2,1-2H3
InChIKeyVRCASSXETBHEHO-UHFFFAOYSA-N
XLogP1.34
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 16785387
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
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methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate
CID 30786002
methyl 4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3-methoxybenzoate
CID 8534250
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
ethane;methyl 3-methoxy-4-prop-2-ynoxybenzoate
CID 156726713
ethane;methyl 4-(cyanomethoxy)-3-methoxybenzoate
CID 144796187
methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
CID 16625207
methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate
CID 60558779
methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate
CID 117053362
methyl 4-[2-(1-adamantyl)-2-oxoethoxy]-3-methoxybenzoate
CID 35964734

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate?
The IUPAC name of methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate (CID 118332629) is methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate.
What is the SMILES notation for methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate?
The canonical SMILES for methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate is COC(=O)c1ccc(OCC2=NCC=N2)c(OC)c1.
What is the InChIKey of methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate?
The InChIKey is VRCASSXETBHEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-17-11-7-9(13(16)18-2)3-4-10(11)19-8-12-14-5-6-15-12/h3-5,7H,6,8H2,1-2H3.
What are the key properties of methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate?
methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate has a molecular weight of 262.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate is sourced from PubChem (CID 118332629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).