methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate

C20H18N2O3 — CID 154708283

IUPACmethyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccccc2)c(-c2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C20H18N2O3/c1-14(23)16-8-10-17(11-9-16)19-21-18(20(24)25-2)13-22(19)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeyWDSIHZMHVCNBAR-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.59
Rot. Bonds5

About methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate

methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate (PubChem CID 154708283) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate
PubChem CID154708283
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namemethyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccccc2)c(-c2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C20H18N2O3/c1-14(23)16-8-10-17(11-9-16)19-21-18(20(24)25-2)13-22(19)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeyWDSIHZMHVCNBAR-UHFFFAOYSA-N
XLogP3.59
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-benzyl-2-(2-methylprop-1-enyl)imidazole-4-carboxylate
CID 154708613
methyl 1-benzyl-2-[(E)-2-phenylethenyl]imidazole-4-carboxylate
CID 154708456
methyl 1-benzyl-4-methylimidazole-2-carboxylate
CID 11470254
1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone
CID 90144829
methane;methyl 1-ethyl-2-(4-formylphenyl)imidazole-4-carboxylate;methyl 1-ethyl-2-[4-(hydroxymethyl)phenyl]imidazole-4-carboxylate
CID 160584310
methyl 1-benzyl-6-iminopyridine-3-carboxylate
CID 23470923
1-[4-(9-benzylpurin-6-yl)phenyl]ethanone
CID 15499185
1-benzyl-2-(4-methylphenyl)-4-phenylimidazole
CID 163216980
methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate
CID 169233543
4-[(4-formyl-2-phenylimidazol-1-yl)methyl]benzoic acid
CID 10590748
methyl 4-[5-(2-acetamido-3-methoxy-3-oxopropyl)-3-benzylimidazol-4-yl]benzoate
CID 102223744
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate?
The IUPAC name of methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate (CID 154708283) is methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate is COC(=O)c1cn(Cc2ccccc2)c(-c2ccc(C(C)=O)cc2)n1.
What is the InChIKey of methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate?
The InChIKey is WDSIHZMHVCNBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-14(23)16-8-10-17(11-9-16)19-21-18(20(24)25-2)13-22(19)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3.
What are the key properties of methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate?
methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate is sourced from PubChem (CID 154708283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).