1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol

C17H14BrFN2O — CID 14518735

IUPAC1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)(c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrFN2O/c18-15-5-1-13(2-6-15)17(22,11-21-10-9-20-12-21)14-3-7-16(19)8-4-14/h1-10,12,22H,11H2
InChIKeyKFQOPYPXFREYFN-UHFFFAOYSA-N
MW361.21 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol

1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol (PubChem CID 14518735) has the molecular formula C17H14BrFN2O and a molecular weight of 361.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol
PubChem CID14518735
Molecular FormulaC17H14BrFN2O
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC Name1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)(c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrFN2O/c18-15-5-1-13(2-6-15)17(22,11-21-10-9-20-12-21)14-3-7-16(19)8-4-14/h1-10,12,22H,11H2
InChIKeyKFQOPYPXFREYFN-UHFFFAOYSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of 1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol (CID 14518735) is 1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol is OC(Cn1ccnc1)(c1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol?
The InChIKey is KFQOPYPXFREYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O/c18-15-5-1-13(2-6-15)17(22,11-21-10-9-20-12-21)14-3-7-16(19)8-4-14/h1-10,12,22H,11H2.
What are the key properties of 1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol?
1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol has a molecular weight of 361.21 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 14518735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).