methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate

C14H14N2O2 — CID 67046521

IUPACmethyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C/c2nccn2C)cc1
InChIInChI=1S/C14H14N2O2/c1-16-10-9-15-13(16)8-5-11-3-6-12(7-4-11)14(17)18-2/h3-10H,1-2H3/b8-5+
InChIKeyALGIFTCYSOVOAX-VMPITWQZSA-N
MW242.28 g/mol
LogP2.38
Rot. Bonds3

About methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate

methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate (PubChem CID 67046521) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate
PubChem CID67046521
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C/c2nccn2C)cc1
InChIInChI=1S/C14H14N2O2/c1-16-10-9-15-13(16)8-5-11-3-6-12(7-4-11)14(17)18-2/h3-10H,1-2H3/b8-5+
InChIKeyALGIFTCYSOVOAX-VMPITWQZSA-N
XLogP2.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl 4-[(E)-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]ethenyl]benzoate
CID 101399274
methyl 4-[2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 68977211
methyl 4-[(Z)-3-ethoxy-2-(1-methylimidazol-2-yl)-3-oxoprop-1-enyl]benzoate
CID 95172253
methyl 4-[(E)-3-ethoxy-2-(1-methylimidazol-2-yl)-3-oxoprop-1-enyl]benzoate
CID 51093301
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
methyl 4-[4-[(E)-2-pyridin-4-ylethenyl]-N-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]anilino]benzoate
CID 24814387
methyl 4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]benzoate
CID 10038604
methyl 4-[(Z)-3-methylbut-1-enyl]benzoate
CID 11321666
methyl 4-but-1-enylbenzoate
CID 69135322
methyl 4-[(E)-3-amino-3-oxoprop-1-enyl]benzoate
CID 82040602

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate?
The IUPAC name of methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate (CID 67046521) is methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate?
The canonical SMILES for methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate is COC(=O)c1ccc(/C=C/c2nccn2C)cc1.
What is the InChIKey of methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate?
The InChIKey is ALGIFTCYSOVOAX-VMPITWQZSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16-10-9-15-13(16)8-5-11-3-6-12(7-4-11)14(17)18-2/h3-10H,1-2H3/b8-5+.
What are the key properties of methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate?
methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate has a molecular weight of 242.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate is sourced from PubChem (CID 67046521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).