ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate

C14H15ClN2O2 — CID 164852991

IUPACethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-4-19-14(18)13-9(2)16-10(3)17(13)12-7-5-11(15)6-8-12/h5-8H,4H2,1-3H3
InChIKeyJROZPILXXCFQQT-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.32
Rot. Bonds3

About ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate

ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate (PubChem CID 164852991) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate
PubChem CID164852991
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Nameethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-4-19-14(18)13-9(2)16-10(3)17(13)12-7-5-11(15)6-8-12/h5-8H,4H2,1-3H3
InChIKeyJROZPILXXCFQQT-UHFFFAOYSA-N
XLogP3.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate 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

3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82297670
diethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate
CID 7184900
ethyl 2,5-dimethyl-3-(3-nitrophenyl)imidazole-4-carboxylate
CID 102441700
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
ethyl 2-(4-chlorophenyl)-5-methyltriazole-4-carboxylate
CID 50849373
ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate
CID 176912169
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
ethyl 3-(3,4-dichlorophenyl)-5-methylimidazole-4-carboxylate
CID 69038701
ethyl 2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 17079437
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate (CID 164852991) is ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate is CCOC(=O)c1c(C)nc(C)n1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate?
The InChIKey is JROZPILXXCFQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-4-19-14(18)13-9(2)16-10(3)17(13)12-7-5-11(15)6-8-12/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate?
ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate has a molecular weight of 278.74 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate is sourced from PubChem (CID 164852991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).