1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol

C17H13BrF2N2O — CID 15737975

IUPAC1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)(c1ccc(Br)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H13BrF2N2O/c18-13-3-1-12(2-4-13)17(23,10-22-8-7-21-11-22)15-6-5-14(19)9-16(15)20/h1-9,11,23H,10H2
InChIKeyCWNRDWMRRVRLQR-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.86
Rot. Bonds4

About 1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol

1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol (PubChem CID 15737975) has the molecular formula C17H13BrF2N2O and a molecular weight of 379.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol
PubChem CID15737975
Molecular FormulaC17H13BrF2N2O
Molecular Weight379.20 g/mol
Exact Mass378.02
IUPAC Name1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)(c1ccc(Br)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H13BrF2N2O/c18-13-3-1-12(2-4-13)17(23,10-22-8-7-21-11-22)15-6-5-14(19)9-16(15)20/h1-9,11,23H,10H2
InChIKeyCWNRDWMRRVRLQR-UHFFFAOYSA-N
XLogP3.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Methylimidazol-2-yl)-diphenylmethanol
CID 3113722
3-(2-Methyl-1-imidazolyl)-1,1-diphenylpropanol
CID 15895912
1-(3-bromophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
CID 53525629
1-[4-(4-Bromophenyl)phenyl]-2-imidazol-1-ylethanol
CID 58580498
(1-ethyl-1H-imidazol-2-yl)(diphenyl)methanol
CID 2881653
1-(Biphenyl-3-yl)-2-(1h-imidazol-1-yl)ethanol
CID 52776
6-[(4-Bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol
CID 44522283
2-(1-Methylimidazol-2-yl)-1,1-diphenylethanol
CID 771820
1-(4-Biphenylyl)-1-(4-fluorophenyl)-2-(imidazol-1-yl)-ethanol
CID 13013626
1-(4-bromophenyl)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
CID 14518735
1-(3,3-Diphenyl-3-hydroxypropyl)-1H-imidazole
CID 24895248
1H-Imidazole, 1-(3-(2,4-dibromophenyl)-3-phenyloxiranyl)-
CID 3061576

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of 1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol (CID 15737975) is 1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol is OC(Cn1ccnc1)(c1ccc(Br)cc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol?
The InChIKey is CWNRDWMRRVRLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N2O/c18-13-3-1-12(2-4-13)17(23,10-22-8-7-21-11-22)15-6-5-14(19)9-16(15)20/h1-9,11,23H,10H2.
What are the key properties of 1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol?
1-(4-bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol has a molecular weight of 379.20 g/mol, XLogP of 3.86, 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-(2,4-difluorophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 15737975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).