[2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol

C10H8BrFN2O — CID 66425690

IUPAC[2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(-c2cc(F)cc(Br)c2)[nH]1
InChIInChI=1S/C10H8BrFN2O/c11-7-1-6(2-8(12)3-7)10-13-4-9(5-15)14-10/h1-4,15H,5H2,(H,13,14)
InChIKeyTXWJLVVJGBOBAT-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.47
Rot. Bonds2

About [2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol

[2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol (PubChem CID 66425690) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is [2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol
PubChem CID66425690
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name[2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(-c2cc(F)cc(Br)c2)[nH]1
InChIInChI=1S/C10H8BrFN2O/c11-7-1-6(2-8(12)3-7)10-13-4-9(5-15)14-10/h1-4,15H,5H2,(H,13,14)
InChIKeyTXWJLVVJGBOBAT-UHFFFAOYSA-N
XLogP2.47
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol (CID 66425690) is [2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol is OCc1cnc(-c2cc(F)cc(Br)c2)[nH]1.
What is the InChIKey of [2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol?
The InChIKey is TXWJLVVJGBOBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c11-7-1-6(2-8(12)3-7)10-13-4-9(5-15)14-10/h1-4,15H,5H2,(H,13,14).
What are the key properties of [2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol?
[2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol has a molecular weight of 271.09 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 66425690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).