1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol

C18H17N3O — CID 53397777

IUPAC1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol
SMILESOC(C=Cc1ccccc1)(Cn1ccnc1)c1ccccn1
InChIInChI=1S/C18H17N3O/c22-18(14-21-13-12-19-15-21,17-8-4-5-11-20-17)10-9-16-6-2-1-3-7-16/h1-13,15,22H,14H2
InChIKeyZNBAWCRBLQBEDB-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.88
Rot. Bonds5

About 1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol

1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol (PubChem CID 53397777) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol
PubChem CID53397777
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol
SMILESOC(C=Cc1ccccc1)(Cn1ccnc1)c1ccccn1
InChIInChI=1S/C18H17N3O/c22-18(14-21-13-12-19-15-21,17-8-4-5-11-20-17)10-9-16-6-2-1-3-7-16/h1-13,15,22H,14H2
InChIKeyZNBAWCRBLQBEDB-UHFFFAOYSA-N
XLogP2.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E,2R)-1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol
CID 92754338
(2R)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-2-ylpentan-2-ol
CID 27876382
(E,2R)-4-(4-chlorophenyl)-1-imidazol-1-yl-2-pyridin-4-ylbut-3-en-2-ol
CID 92754324
(E,2S)-4-(4-bromophenyl)-1-imidazol-1-yl-2-pyridin-3-ylbut-3-en-2-ol
CID 27876368
1-(4-fluorophenyl)-2-imidazol-1-yl-1-pyridin-2-ylethanol
CID 5302796
1-(5-chlorothiophen-2-yl)-2-imidazol-1-yl-1-pyridin-2-ylethanol
CID 13473103
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
1-imidazol-1-yl-4-phenylbut-3-en-2-one
CID 54468308
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
(E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol
CID 11702330
1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
CID 67859856
2-imidazol-1-yl-1-phenyl-1-(4-phenylphenyl)ethanol
CID 13013640

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol?
The IUPAC name of 1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol (CID 53397777) is 1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol?
The canonical SMILES for 1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol is OC(C=Cc1ccccc1)(Cn1ccnc1)c1ccccn1.
What is the InChIKey of 1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol?
The InChIKey is ZNBAWCRBLQBEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(14-21-13-12-19-15-21,17-8-4-5-11-20-17)10-9-16-6-2-1-3-7-16/h1-13,15,22H,14H2.
What are the key properties of 1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol?
1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol has a molecular weight of 291.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol is sourced from PubChem (CID 53397777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).