2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole

C17H14BrFN2O — CID 82562366

IUPAC2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole
SMILESCOc1ccccc1Cn1ccnc1-c1cc(F)cc(Br)c1
InChIInChI=1S/C17H14BrFN2O/c1-22-16-5-3-2-4-12(16)11-21-7-6-20-17(21)13-8-14(18)10-15(19)9-13/h2-10H,11H2,1H3
InChIKeyCKJUEVLURQXCGM-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.51
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole

2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole (PubChem CID 82562366) has the molecular formula C17H14BrFN2O and a molecular weight of 361.21 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole
PubChem CID82562366
Molecular FormulaC17H14BrFN2O
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole
SMILESCOc1ccccc1Cn1ccnc1-c1cc(F)cc(Br)c1
InChIInChI=1S/C17H14BrFN2O/c1-22-16-5-3-2-4-12(16)11-21-7-6-20-17(21)13-8-14(18)10-15(19)9-13/h2-10H,11H2,1H3
InChIKeyCKJUEVLURQXCGM-UHFFFAOYSA-N
XLogP4.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole (CID 82562366) is 2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole is COc1ccccc1Cn1ccnc1-c1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole?
The InChIKey is CKJUEVLURQXCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O/c1-22-16-5-3-2-4-12(16)11-21-7-6-20-17(21)13-8-14(18)10-15(19)9-13/h2-10H,11H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole?
2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole has a molecular weight of 361.21 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-[(2-methoxyphenyl)methyl]imidazole is sourced from PubChem (CID 82562366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).