ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate

C22H21N3O3 — CID 162651723

IUPACethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccc(C)cc1
InChIInChI=1S/C22H21N3O3/c1-4-27-22(26)20-16(3)24-21(19-7-5-6-18(12-19)13-23)25(20)28-14-17-10-8-15(2)9-11-17/h5-12H,4,14H2,1-3H3
InChIKeyOQENLQFWZPOCFA-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.84
Rot. Bonds6

About ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate

ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate (PubChem CID 162651723) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate
PubChem CID162651723
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Nameethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccc(C)cc1
InChIInChI=1S/C22H21N3O3/c1-4-27-22(26)20-16(3)24-21(19-7-5-6-18(12-19)13-23)25(20)28-14-17-10-8-15(2)9-11-17/h5-12H,4,14H2,1-3H3
InChIKeyOQENLQFWZPOCFA-UHFFFAOYSA-N
XLogP3.84
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate (CID 162651723) is ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate is CCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccc(C)cc1.
What is the InChIKey of ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate?
The InChIKey is OQENLQFWZPOCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-4-27-22(26)20-16(3)24-21(19-7-5-6-18(12-19)13-23)25(20)28-14-17-10-8-15(2)9-11-17/h5-12H,4,14H2,1-3H3.
What are the key properties of ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate?
ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyanophenyl)-5-methyl-3-[(4-methylphenyl)methoxy]imidazole-4-carboxylate is sourced from PubChem (CID 162651723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).