methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate

C20H18N2O2 — CID 154708456

IUPACmethyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccccc2)c(/C=C/c2ccccc2)n1
InChIInChI=1S/C20H18N2O2/c1-24-20(23)18-15-22(14-17-10-6-3-7-11-17)19(21-18)13-12-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3/b13-12+
InChIKeyDXHJJLJIFYORGV-OUKQBFOZSA-N
MW318.38 g/mol
LogP3.89
Rot. Bonds5

About methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate

methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate (PubChem CID 154708456) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate
PubChem CID154708456
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Namemethyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccccc2)c(/C=C/c2ccccc2)n1
InChIInChI=1S/C20H18N2O2/c1-24-20(23)18-15-22(14-17-10-6-3-7-11-17)19(21-18)13-12-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3/b13-12+
InChIKeyDXHJJLJIFYORGV-OUKQBFOZSA-N
XLogP3.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate
CID 154708613
methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate
CID 169233543
methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate
CID 154708283
methyl 1-benzyl-4-methylimidazole-2-carboxylate
CID 11470254
methyl 4-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methyl-5-oxopyrazine-2-carboxylate
CID 170571454
1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone
CID 90144829
dimethyl 6-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylate
CID 11089322
methyl 4-[[2-[(E)-2-(4-bromophenyl)ethenyl]-4-(2,4-difluorophenyl)imidazol-1-yl]methyl]benzoate
CID 67049483
1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 67049290
methyl 1-benzyl-6-iminopyridine-3-carboxylate
CID 23470923
methyl 2-[(E)-2-phenylethenyl]pyrrolo[1,2-b]pyridazine-7-carboxylate
CID 71652608
dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate
CID 101466674

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate?
The IUPAC name of methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate (CID 154708456) is methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate is COC(=O)c1cn(Cc2ccccc2)c(/C=C/c2ccccc2)n1.
What is the InChIKey of methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate?
The InChIKey is DXHJJLJIFYORGV-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-20(23)18-15-22(14-17-10-6-3-7-11-17)19(21-18)13-12-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3/b13-12+.
What are the key properties of methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate?
methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate is sourced from PubChem (CID 154708456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).