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

C15H15F3N2O3 — CID 162378399

IUPACmethyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(C(F)(F)F)cn2C(C)C)c(O)c1
InChIInChI=1S/C15H15F3N2O3/c1-8(2)20-7-12(15(16,17)18)19-13(20)10-5-4-9(6-11(10)21)14(22)23-3/h4-8,21H,1-3H3
InChIKeyOVDKVLPIXSLWMD-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.64
Rot. Bonds3

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

methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate (PubChem CID 162378399) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate
PubChem CID162378399
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Namemethyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(C(F)(F)F)cn2C(C)C)c(O)c1
InChIInChI=1S/C15H15F3N2O3/c1-8(2)20-7-12(15(16,17)18)19-13(20)10-5-4-9(6-11(10)21)14(22)23-3/h4-8,21H,1-3H3
InChIKeyOVDKVLPIXSLWMD-UHFFFAOYSA-N
XLogP3.64
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]benzoate
CID 172585882
methyl 2-(trifluoromethyl)-5H-imidazo[2,1-a]isoindole-7-carboxylate
CID 170973105
3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde
CID 170707674
[3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 170707373
methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate
CID 145449122
[3-fluoro-5-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylcarbamic acid
CID 174218601
methyl 5-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carboxylate
CID 172586617
methyl 4-fluorosulfanyl-3-(trifluoromethyl)benzoate
CID 143638703
methyl 3-fluoro-2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]benzoate
CID 172586392
methyl 3-(trifluoromethyl)-1,2-benzoxazole-5-carboxylate
CID 91756191
methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
CID 177004636
zinc methyl 3-hydroxy-4-sulfanylbenzoate
CID 22351831

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate?
The IUPAC name of methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate (CID 162378399) is methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate.
What is the SMILES notation for methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate?
The canonical SMILES for methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate is COC(=O)c1ccc(-c2nc(C(F)(F)F)cn2C(C)C)c(O)c1.
What is the InChIKey of methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate?
The InChIKey is OVDKVLPIXSLWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-8(2)20-7-12(15(16,17)18)19-13(20)10-5-4-9(6-11(10)21)14(22)23-3/h4-8,21H,1-3H3.
What are the key properties of methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate?
methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate has a molecular weight of 328.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate is sourced from PubChem (CID 162378399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).