methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate

C19H15F3N2O2 — CID 20595876

IUPACmethyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate
SMILESCOC(=O)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2C)c1
InChIInChI=1S/C19H15F3N2O2/c1-24-11-16(12-5-4-8-15(10-12)19(20,21)22)23-17(24)13-6-3-7-14(9-13)18(25)26-2/h3-11H,1-2H3
InChIKeyCJRXFJDRTMMXRA-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.56
Rot. Bonds3

About methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate

methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate (PubChem CID 20595876) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate
PubChem CID20595876
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Namemethyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate
SMILESCOC(=O)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2C)c1
InChIInChI=1S/C19H15F3N2O2/c1-24-11-16(12-5-4-8-15(10-12)19(20,21)22)23-17(24)13-6-3-7-14(9-13)18(25)26-2/h3-11H,1-2H3
InChIKeyCJRXFJDRTMMXRA-UHFFFAOYSA-N
XLogP4.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]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-(1H-imidazol-1-yl)benzoate
CID 2766374
4-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
Methyl 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]-benzoate
CID 10133915
methyl 4-[[2-butyl-5-[(Z)-[1-butyl-2,5-dioxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate
CID 10371295
5-(p-Ethoxycarbonylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine hydrochloride
CID 13688214
Methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57390253
Methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
CID 89471867
3-Fluoro-4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
CID 118978640
ethyl 4-{[(1-methyl-1H-benzimidazol-2-yl)methylene]amino}benzoate
CID 873035
methyl 4-[[2-butyl-5-[(Z)-[1-butyl-3-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate
CID 10007528
4-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-benzoic acid methyl ester
CID 10665884

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate?
The IUPAC name of methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate (CID 20595876) is methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate.
What is the SMILES notation for methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate?
The canonical SMILES for methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate is COC(=O)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2C)c1.
What is the InChIKey of methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate?
The InChIKey is CJRXFJDRTMMXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c1-24-11-16(12-5-4-8-15(10-12)19(20,21)22)23-17(24)13-6-3-7-14(9-13)18(25)26-2/h3-11H,1-2H3.
What are the key properties of methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate?
methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate has a molecular weight of 360.34 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]benzoate is sourced from PubChem (CID 20595876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).