(Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one

C18H14N2O2 — CID 135439849

IUPAC(Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C(=C(\O)c1ccccc1)c1ncc[nH]1)c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-16(13-7-3-1-4-8-13)15(18-19-11-12-20-18)17(22)14-9-5-2-6-10-14/h1-12,21H,(H,19,20)/b16-15+
InChIKeyKYAHOMWHQIFPLR-FOCLMDBBSA-N
MW290.32 g/mol
LogP3.72
Rot. Bonds4

About (Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one

(Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one (PubChem CID 135439849) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one
PubChem CID135439849
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C(=C(\O)c1ccccc1)c1ncc[nH]1)c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-16(13-7-3-1-4-8-13)15(18-19-11-12-20-18)17(22)14-9-5-2-6-10-14/h1-12,21H,(H,19,20)/b16-15+
InChIKeyKYAHOMWHQIFPLR-FOCLMDBBSA-N
XLogP3.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(1H-imidazol-2-yl)benzoic Acid
CID 1475901
2-(1H-Imidazol-2-yl)benzoic acid
CID 16767379
4''-(2-(5-butyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
CID 46881961
4''-(3-(5-butyl-1H-imidazol-2-yl)propyl)biphenyl-2-carboxylic acid
CID 46882059
4''-(2-(5-butyl-1H-imidazol-2-yl)vinyl)biphenyl-2-carboxylic acid
CID 46882060
2-(1H-imidazol-2-yl)-1-phenyl-ethanone
CID 2443031
2-(1H-imidazol-2-yl)-1-phenylethan-1-one hydrochloride
CID 22258221
2-(1H-imidazol-2-yl)benzoic acid hydrochloride
CID 69589833
1-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 6481672
Imidazolium benzoate
CID 69734272
4-[(E)-3-(imidazol-2-yl)prop-1-en-1-yl]-2-(4-fluorophenyl)benzoic acid
CID 18399524
(E)-1-(5-fluoro-2-hydroxyphenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one
CID 18782934

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one (CID 135439849) is (Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one is O=C(/C(=C(\O)c1ccccc1)c1ncc[nH]1)c1ccccc1.
What is the InChIKey of (Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one?
The InChIKey is KYAHOMWHQIFPLR-FOCLMDBBSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-16(13-7-3-1-4-8-13)15(18-19-11-12-20-18)17(22)14-9-5-2-6-10-14/h1-12,21H,(H,19,20)/b16-15+.
What are the key properties of (Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one?
(Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one has a molecular weight of 290.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-(1H-imidazol-2-yl)-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 135439849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).