(E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one

C20H20N2O3 — CID 754155

IUPAC(E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)N2CCN=C2c2ccccc2)cc1OC
InChIInChI=1S/C20H20N2O3/c1-24-17-10-8-15(14-18(17)25-2)9-11-19(23)22-13-12-21-20(22)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3/b11-9+
InChIKeyRVZJAEQSEPMQNI-PKNBQFBNSA-N
MW336.39 g/mol
LogP3.01
Rot. Bonds5

About (E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one

(E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one (PubChem CID 754155) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one
PubChem CID754155
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)N2CCN=C2c2ccccc2)cc1OC
InChIInChI=1S/C20H20N2O3/c1-24-17-10-8-15(14-18(17)25-2)9-11-19(23)22-13-12-21-20(22)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3/b11-9+
InChIKeyRVZJAEQSEPMQNI-PKNBQFBNSA-N
XLogP3.01
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one (CID 754155) is (E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)N2CCN=C2c2ccccc2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one?
The InChIKey is RVZJAEQSEPMQNI-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-24-17-10-8-15(14-18(17)25-2)9-11-19(23)22-13-12-21-20(22)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3/b11-9+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one?
(E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one has a molecular weight of 336.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-1-(2-phenyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 754155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).