1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol

C17H14BrFN2O — CID 15737969

IUPAC1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)(c1ccc(F)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H14BrFN2O/c18-15-3-1-2-14(10-15)17(22,11-21-9-8-20-12-21)13-4-6-16(19)7-5-13/h1-10,12,22H,11H2
InChIKeyGXUKZAQOKYZIBB-UHFFFAOYSA-N
MW361.21 g/mol
LogP3.72
Rot. Bonds4

About 1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol

1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol (PubChem CID 15737969) has the molecular formula C17H14BrFN2O and a molecular weight of 361.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol
PubChem CID15737969
Molecular FormulaC17H14BrFN2O
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC Name1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)(c1ccc(F)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H14BrFN2O/c18-15-3-1-2-14(10-15)17(22,11-21-9-8-20-12-21)13-4-6-16(19)7-5-13/h1-10,12,22H,11H2
InChIKeyGXUKZAQOKYZIBB-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

Analyze 1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of 1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol (CID 15737969) is 1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol is OC(Cn1ccnc1)(c1ccc(F)cc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol?
The InChIKey is GXUKZAQOKYZIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O/c18-15-3-1-2-14(10-15)17(22,11-21-9-8-20-12-21)13-4-6-16(19)7-5-13/h1-10,12,22H,11H2.
What are the key properties of 1-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol?
1-(3-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-(3-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 15737969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).