methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate

C13H11F3N2O3 — CID 177269225

IUPACmethyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1OC
InChIInChI=1S/C13H11F3N2O3/c1-20-9-5-7(3-4-8(9)12(19)21-2)11-17-6-10(18-11)13(14,15)16/h3-6H,1-2H3,(H,17,18)
InChIKeyZOUMOBTUZYOLNK-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.89
Rot. Bonds3

About methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate

methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate (PubChem CID 177269225) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate
PubChem CID177269225
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Namemethyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1OC
InChIInChI=1S/C13H11F3N2O3/c1-20-9-5-7(3-4-8(9)12(19)21-2)11-17-6-10(18-11)13(14,15)16/h3-6H,1-2H3,(H,17,18)
InChIKeyZOUMOBTUZYOLNK-UHFFFAOYSA-N
XLogP2.89
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-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

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate?
The IUPAC name of methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate (CID 177269225) is methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate.
What is the SMILES notation for methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate?
The canonical SMILES for methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate is COC(=O)c1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1OC.
What is the InChIKey of methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate?
The InChIKey is ZOUMOBTUZYOLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-20-9-5-7(3-4-8(9)12(19)21-2)11-17-6-10(18-11)13(14,15)16/h3-6H,1-2H3,(H,17,18).
What are the key properties of methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate?
methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate has a molecular weight of 300.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzoate is sourced from PubChem (CID 177269225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).