5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine

C17H13BrF3N3O — CID 126752356

IUPAC5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine
SMILESCOc1ccccc1Cn1cc(Br)nc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H13BrF3N3O/c1-25-13-5-3-2-4-12(13)9-24-10-15(18)23-16(24)11-6-7-14(22-8-11)17(19,20)21/h2-8,10H,9H2,1H3
InChIKeyUETWPXKPFLUIMG-UHFFFAOYSA-N
MW412.21 g/mol
LogP4.78
Rot. Bonds4

About 5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine

5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine (PubChem CID 126752356) has the molecular formula C17H13BrF3N3O and a molecular weight of 412.21 g/mol. Its IUPAC name is 5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine
PubChem CID126752356
Molecular FormulaC17H13BrF3N3O
Molecular Weight412.21 g/mol
Exact Mass411.02
IUPAC Name5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine
SMILESCOc1ccccc1Cn1cc(Br)nc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H13BrF3N3O/c1-25-13-5-3-2-4-12(13)9-24-10-15(18)23-16(24)11-6-7-14(22-8-11)17(19,20)21/h2-8,10H,9H2,1H3
InChIKeyUETWPXKPFLUIMG-UHFFFAOYSA-N
XLogP4.78
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.21
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine (CID 126752356) is 5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine is COc1ccccc1Cn1cc(Br)nc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine?
The InChIKey is UETWPXKPFLUIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3N3O/c1-25-13-5-3-2-4-12(13)9-24-10-15(18)23-16(24)11-6-7-14(22-8-11)17(19,20)21/h2-8,10H,9H2,1H3.
What are the key properties of 5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine?
5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine has a molecular weight of 412.21 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 126752356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).