ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate

C21H23F3N2O2 — CID 142503443

IUPACethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2=CCCCC2)n(Cc2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C21H23F3N2O2/c1-3-28-20(27)18-14(2)26(19(25-18)15-9-5-4-6-10-15)13-16-11-7-8-12-17(16)21(22,23)24/h7-9,11-12H,3-6,10,13H2,1-2H3
InChIKeyHWTWLZZQTGXFFM-UHFFFAOYSA-N
MW392.42 g/mol
LogP5.39
Rot. Bonds5

About ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate

ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate (PubChem CID 142503443) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate
PubChem CID142503443
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Nameethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2=CCCCC2)n(Cc2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C21H23F3N2O2/c1-3-28-20(27)18-14(2)26(19(25-18)15-9-5-4-6-10-15)13-16-11-7-8-12-17(16)21(22,23)24/h7-9,11-12H,3-6,10,13H2,1-2H3
InChIKeyHWTWLZZQTGXFFM-UHFFFAOYSA-N
XLogP5.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]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

Related Compounds

ethyl 5-methyl-2-piperidin-1-yl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate
CID 142503474
ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate
CID 142503583
ethyl 1-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2-tert-butyl-5-methylimidazole-4-carboxylate
CID 142503425
ethyl 3-amino-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82529177
ethyl (2R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 66644833
ethyl 5-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 116526140
ethyl 4-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylate
CID 71071577
ethyl 2-(2-oxopropyl)-6-(trifluoromethyl)benzoate
CID 134640898
2-ethoxy-4-[[1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzoic acid
CID 142209511
ethyl (3R)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidine-3-carboxylate
CID 26324126
ethyl (3S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidine-3-carboxylate
CID 26324127
dichloromethane;ethyl 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 161464932

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate (CID 142503443) is ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate is CCOC(=O)c1nc(C2=CCCCC2)n(Cc2ccccc2C(F)(F)F)c1C.
What is the InChIKey of ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate?
The InChIKey is HWTWLZZQTGXFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-3-28-20(27)18-14(2)26(19(25-18)15-9-5-4-6-10-15)13-16-11-7-8-12-17(16)21(22,23)24/h7-9,11-12H,3-6,10,13H2,1-2H3.
What are the key properties of ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate?
ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate has a molecular weight of 392.42 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate is sourced from PubChem (CID 142503443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).