ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate

C21H22N2O3 — CID 11537595

IUPACethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate
SMILESCCOC(=O)Cc1cn(-c2ccc(C)cc2)c(-c2ccccc2OC)n1
InChIInChI=1S/C21H22N2O3/c1-4-26-20(24)13-16-14-23(17-11-9-15(2)10-12-17)21(22-16)18-7-5-6-8-19(18)25-3/h5-12,14H,4,13H2,1-3H3
InChIKeyWVLNGKWACVDBOJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.96
Rot. Bonds6

About ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate

ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate (PubChem CID 11537595) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate
PubChem CID11537595
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Nameethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate
SMILESCCOC(=O)Cc1cn(-c2ccc(C)cc2)c(-c2ccccc2OC)n1
InChIInChI=1S/C21H22N2O3/c1-4-26-20(24)13-16-14-23(17-11-9-15(2)10-12-17)21(22-16)18-7-5-6-8-19(18)25-3/h5-12,14H,4,13H2,1-3H3
InChIKeyWVLNGKWACVDBOJ-UHFFFAOYSA-N
XLogP3.96
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate 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

ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
ethyl 2-[3-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 156579945
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425
ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate
CID 144673461
ethyl 2-(8-methoxy-2-methylquinolin-3-yl)acetate
CID 171788302
ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate
CID 133096473
ethyl 2-[[2-(2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 42738298
ethyl 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
CID 58763578
2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid
CID 82295182
CID 164570671
CID 164570671
ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate
CID 174895462
ethyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 10108596

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate (CID 11537595) is ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate is CCOC(=O)Cc1cn(-c2ccc(C)cc2)c(-c2ccccc2OC)n1.
What is the InChIKey of ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate?
The InChIKey is WVLNGKWACVDBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-26-20(24)13-16-14-23(17-11-9-15(2)10-12-17)21(22-16)18-7-5-6-8-19(18)25-3/h5-12,14H,4,13H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate?
ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate has a molecular weight of 350.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate is sourced from PubChem (CID 11537595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).