methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate

C20H20N2O5 — CID 142749790

IUPACmethyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ncc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1
InChIInChI=1S/C20H20N2O5/c1-24-16-9-14(10-17(25-2)18(16)26-3)15-11-21-19(22-15)12-5-7-13(8-6-12)20(23)27-4/h5-11H,1-4H3,(H,21,22)
InChIKeyODFRNWBAKAKSOI-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.56
Rot. Bonds6

About methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate

methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate (PubChem CID 142749790) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate
PubChem CID142749790
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Namemethyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ncc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1
InChIInChI=1S/C20H20N2O5/c1-24-16-9-14(10-17(25-2)18(16)26-3)15-11-21-19(22-15)12-5-7-13(8-6-12)20(23)27-4/h5-11H,1-4H3,(H,21,22)
InChIKeyODFRNWBAKAKSOI-UHFFFAOYSA-N
XLogP3.56
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate
CID 165456086
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 102453349
methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 160633416
1-methyl-6-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]indole
CID 175429008
methyl 4-[5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-1H-imidazol-2-yl]benzoate
CID 58510215
5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-carbonitrile
CID 116879942
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate
CID 114016258
[2-(4-nitrophenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69039473
methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate
CID 19861876
methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 56848500

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate?
The IUPAC name of methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate (CID 142749790) is methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate.
What is the SMILES notation for methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate?
The canonical SMILES for methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate is COC(=O)c1ccc(-c2ncc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1.
What is the InChIKey of methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate?
The InChIKey is ODFRNWBAKAKSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-24-16-9-14(10-17(25-2)18(16)26-3)15-11-21-19(22-15)12-5-7-13(8-6-12)20(23)27-4/h5-11H,1-4H3,(H,21,22).
What are the key properties of methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate?
methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate has a molecular weight of 368.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate is sourced from PubChem (CID 142749790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).