(E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol

C18H16ClN3O — CID 92754324

IUPAC(E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol
SMILESO[C@@](/C=C/c1ccc(Cl)cc1)(Cn1ccnc1)c1ccncc1
InChIInChI=1S/C18H16ClN3O/c19-17-3-1-15(2-4-17)5-8-18(23,13-22-12-11-21-14-22)16-6-9-20-10-7-16/h1-12,14,23H,13H2/b8-5+/t18-/m0/s1
InChIKeyWNHHKRRKYLMQCJ-MOTZXUDYSA-N
MW325.80 g/mol
LogP3.53
Rot. Bonds5

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

(E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol (PubChem CID 92754324) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is (E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol
PubChem CID92754324
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name(E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol
SMILESO[C@@](/C=C/c1ccc(Cl)cc1)(Cn1ccnc1)c1ccncc1
InChIInChI=1S/C18H16ClN3O/c19-17-3-1-15(2-4-17)5-8-18(23,13-22-12-11-21-14-22)16-6-9-20-10-7-16/h1-12,14,23H,13H2/b8-5+/t18-/m0/s1
InChIKeyWNHHKRRKYLMQCJ-MOTZXUDYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(E,2S)-4-(4-chlorophenyl)-2-pyridin-4-yl-1-(1,2,4-triazol-1-yl)but-3-en-2-ol
CID 40634106
(E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol
CID 27876368
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
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 20519458
2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride
CID 70462522
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
3-(4-chlorophenyl)-N-[1,3-di(imidazol-1-yl)propan-2-yl]prop-2-enamide
CID 155663270
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
1-[(E)-2-(4-chlorophenyl)ethenyl]imidazole
CID 11252712
2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
CID 70569120
1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbut-3-enyl]imidazole
CID 54092527

Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol?
The IUPAC name of (E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol (CID 92754324) is (E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol.
What is the SMILES notation for (E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol?
The canonical SMILES for (E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol is O[C@@](/C=C/c1ccc(Cl)cc1)(Cn1ccnc1)c1ccncc1.
What is the InChIKey of (E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol?
The InChIKey is WNHHKRRKYLMQCJ-MOTZXUDYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-17-3-1-15(2-4-17)5-8-18(23,13-22-12-11-21-14-22)16-6-9-20-10-7-16/h1-12,14,23H,13H2/b8-5+/t18-/m0/s1.
What are the key properties of (E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol?
(E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol has a molecular weight of 325.80 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol is sourced from PubChem (CID 92754324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).