[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol

C10H8BrFN2O — CID 63927372

IUPAC[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol
SMILESOCc1ncc(-c2ccc(F)c(Br)c2)[nH]1
InChIInChI=1S/C10H8BrFN2O/c11-7-3-6(1-2-8(7)12)9-4-13-10(5-15)14-9/h1-4,15H,5H2,(H,13,14)
InChIKeyLOOIXCLUWKGLSI-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.47
Rot. Bonds2

About [5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol

[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol (PubChem CID 63927372) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is [5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol
PubChem CID63927372
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol
SMILESOCc1ncc(-c2ccc(F)c(Br)c2)[nH]1
InChIInChI=1S/C10H8BrFN2O/c11-7-3-6(1-2-8(7)12)9-4-13-10(5-15)14-9/h1-4,15H,5H2,(H,13,14)
InChIKeyLOOIXCLUWKGLSI-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 [5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol?
The IUPAC name of [5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol (CID 63927372) is [5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol.
What is the SMILES notation for [5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol?
The canonical SMILES for [5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol is OCc1ncc(-c2ccc(F)c(Br)c2)[nH]1.
What is the InChIKey of [5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol?
The InChIKey is LOOIXCLUWKGLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c11-7-3-6(1-2-8(7)12)9-4-13-10(5-15)14-9/h1-4,15H,5H2,(H,13,14).
What are the key properties of [5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol?
[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-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 [5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 63927372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).