(E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol

C18H16BrN3O — CID 27876368

IUPAC(E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol
SMILESO[C@](/C=C/c1ccc(Br)cc1)(Cn1ccnc1)c1cccnc1
InChIInChI=1S/C18H16BrN3O/c19-17-5-3-15(4-6-17)7-8-18(23,13-22-11-10-21-14-22)16-2-1-9-20-12-16/h1-12,14,23H,13H2/b8-7+/t18-/m1/s1
InChIKeyPCQKJYLOGPFRBW-LKGOPFMKSA-N
MW370.25 g/mol
LogP3.64
Rot. Bonds5

About (E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol

(E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol (PubChem CID 27876368) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is (E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol
PubChem CID27876368
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name(E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol
SMILESO[C@](/C=C/c1ccc(Br)cc1)(Cn1ccnc1)c1cccnc1
InChIInChI=1S/C18H16BrN3O/c19-17-5-3-15(4-6-17)7-8-18(23,13-22-11-10-21-14-22)16-2-1-9-20-12-16/h1-12,14,23H,13H2/b8-7+/t18-/m1/s1
InChIKeyPCQKJYLOGPFRBW-LKGOPFMKSA-N
XLogP3.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol
CID 92754324
1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol
CID 53397777
(E,2R)-1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol
CID 92754338
(2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol
CID 27876388
(Z)-1,3-diphenyl-1-pyridin-3-ylprop-2-en-1-ol
CID 6446244
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
2-imidazol-1-yl-1-phenyl-1-(4-phenylphenyl)ethanol
CID 13013640
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
2-imidazol-1-yl-1-(4-methylphenyl)-1-phenylethanol
CID 15085528
3-(4-bromophenyl)-1-imidazol-1-ylprop-2-en-1-one
CID 69157874
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole
CID 58624286
tripyridin-3-ylmethanol
CID 177395677

Frequently Asked Questions

What is the IUPAC name of (E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol?
The IUPAC name of (E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol (CID 27876368) is (E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol.
What is the SMILES notation for (E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol?
The canonical SMILES for (E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol is O[C@](/C=C/c1ccc(Br)cc1)(Cn1ccnc1)c1cccnc1.
What is the InChIKey of (E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol?
The InChIKey is PCQKJYLOGPFRBW-LKGOPFMKSA-N. The full InChI is InChI=1S/C18H16BrN3O/c19-17-5-3-15(4-6-17)7-8-18(23,13-22-11-10-21-14-22)16-2-1-9-20-12-16/h1-12,14,23H,13H2/b8-7+/t18-/m1/s1.
What are the key properties of (E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol?
(E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol has a molecular weight of 370.25 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol is sourced from PubChem (CID 27876368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).