(E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one

C24H20N2O4 — CID 19541142

IUPAC(E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one
SMILESCOc1ccccc1OCc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)o1
InChIInChI=1S/C24H20N2O4/c1-28-23-4-2-3-5-24(23)29-16-21-11-10-20(30-21)12-13-22(27)18-6-8-19(9-7-18)26-15-14-25-17-26/h2-15,17H,16H2,1H3/b13-12+
InChIKeyKUMDZBZDRHLMEP-OUKQBFOZSA-N
MW400.43 g/mol
LogP4.95
Rot. Bonds8

About (E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one

(E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one (PubChem CID 19541142) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is (E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one
PubChem CID19541142
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name(E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one
SMILESCOc1ccccc1OCc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)o1
InChIInChI=1S/C24H20N2O4/c1-28-23-4-2-3-5-24(23)29-16-21-11-10-20(30-21)12-13-22(27)18-6-8-19(9-7-18)26-15-14-25-17-26/h2-15,17H,16H2,1H3/b13-12+
InChIKeyKUMDZBZDRHLMEP-OUKQBFOZSA-N
XLogP4.95
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one
CID 19559055
(E)-1-(3,4-dimethoxyphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19561030
(E)-3-[5-[(2-chlorophenoxy)methyl]furan-2-yl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 19561043
(E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 15944639
(E)-1-(4-imidazol-1-ylphenyl)-3-[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]prop-2-en-1-one
CID 19541221
(E)-1-[3-(difluoromethoxy)phenyl]-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19542645
(E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 19561034
(E)-1-(4-imidazol-1-ylphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 19569707
(E)-3-[5-[(2-bromophenoxy)methyl]furan-2-yl]-1-(4-methylphenyl)prop-2-en-1-one
CID 19565021
(E)-3-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one
CID 19559081
(E)-1-(4-pyrrol-1-ylphenyl)-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19559021
(E)-3-[5-[(2-chlorophenoxy)methyl]furan-2-yl]-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 19569175

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one (CID 19541142) is (E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one is COc1ccccc1OCc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)o1.
What is the InChIKey of (E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one?
The InChIKey is KUMDZBZDRHLMEP-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-28-23-4-2-3-5-24(23)29-16-21-11-10-20(30-21)12-13-22(27)18-6-8-19(9-7-18)26-15-14-25-17-26/h2-15,17H,16H2,1H3/b13-12+.
What are the key properties of (E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one?
(E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one has a molecular weight of 400.43 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-imidazol-1-ylphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 19541142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).