(E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one

C20H18N2O2 — CID 15944639

IUPAC(E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
SMILESCCOc1ccccc1/C=C/C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H18N2O2/c1-2-24-20-6-4-3-5-17(20)9-12-19(23)16-7-10-18(11-8-16)22-14-13-21-15-22/h3-15H,2H2,1H3/b12-9+
InChIKeyQLWJRJSXDBBPOA-FMIVXFBMSA-N
MW318.38 g/mol
LogP4.17
Rot. Bonds6

About (E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one

(E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one (PubChem CID 15944639) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
PubChem CID15944639
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
SMILESCCOc1ccccc1/C=C/C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H18N2O2/c1-2-24-20-6-4-3-5-17(20)9-12-19(23)16-7-10-18(11-8-16)22-14-13-21-15-22/h3-15H,2H2,1H3/b12-9+
InChIKeyQLWJRJSXDBBPOA-FMIVXFBMSA-N
XLogP4.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
(E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 19541207
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
(E)-3-(1-ethyl-3-methylpyrazol-4-yl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 19569717
(E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19541142
(E)-1-(4-fluorophenyl)-4-(4-imidazol-1-ylphenyl)but-2-ene-1,4-dione
CID 125485189
(E)-1-(4-imidazol-1-ylphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 19541191
(E)-3-(4-hydroxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 172994200
(E)-3-(4-tert-butylphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 19541225
2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
CID 8830404
3-(2-ethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one
CID 3465136
3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 72688336

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one (CID 15944639) is (E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one is CCOc1ccccc1/C=C/C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one?
The InChIKey is QLWJRJSXDBBPOA-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-2-24-20-6-4-3-5-17(20)9-12-19(23)16-7-10-18(11-8-16)22-14-13-21-15-22/h3-15H,2H2,1H3/b12-9+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one?
(E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one has a molecular weight of 318.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 15944639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).