5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one

C24H20N2O5 — CID 89432968

IUPAC5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one
SMILESCOc1cc(/C=C/C(=O)c2cccc(-n3cc(-c4ccco4)[nH]c3=O)c2)ccc1CO
InChIInChI=1S/C24H20N2O5/c1-30-23-12-16(7-9-18(23)15-27)8-10-21(28)17-4-2-5-19(13-17)26-14-20(25-24(26)29)22-6-3-11-31-22/h2-14,27H,15H2,1H3,(H,25,29)/b10-8+
InChIKeyGWJKMMZPMJZJFF-CSKARUKUSA-N
MW416.43 g/mol
LogP3.82
Rot. Bonds7

About 5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one

5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one (PubChem CID 89432968) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one
PubChem CID89432968
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one
SMILESCOc1cc(/C=C/C(=O)c2cccc(-n3cc(-c4ccco4)[nH]c3=O)c2)ccc1CO
InChIInChI=1S/C24H20N2O5/c1-30-23-12-16(7-9-18(23)15-27)8-10-21(28)17-4-2-5-19(13-17)26-14-20(25-24(26)29)22-6-3-11-31-22/h2-14,27H,15H2,1H3,(H,25,29)/b10-8+
InChIKeyGWJKMMZPMJZJFF-CSKARUKUSA-N
XLogP3.82
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 67343703
3-[3-[3-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]phenyl]-5-(5-chlorofuran-2-yl)-1H-imidazol-2-one
CID 123458128
3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one
CID 75254619
3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one
CID 67342824
3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one
CID 77270255
3-[3-[(E)-3-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]phenyl]-5-naphthalen-2-yl-1H-imidazol-2-one
CID 89432959
5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 77275878
3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-5-naphthalen-2-yl-1H-imidazol-2-one
CID 67340867
3-[3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
CID 67343417
5-(5-chlorofuran-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 89432971
3-[3-[(E)-3-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]phenyl]-5-(5-chlorothiophen-2-yl)-1H-imidazol-2-one;3-[3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]-5-(5-chlorothiophen-2-yl)-1H-imidazol-2-one;5-(5-chlorothiophen-2-yl)-3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one;5-(5-chlorothiophen-2-yl)-3-[3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one;5-(5-chlorothiophen-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one;5-(5-chlorothiophen-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one;5-(5-chlorothiophen-2-yl)-3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 162105002
5-(4-methylphenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 77473324

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one?
The IUPAC name of 5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one (CID 89432968) is 5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one is COc1cc(/C=C/C(=O)c2cccc(-n3cc(-c4ccco4)[nH]c3=O)c2)ccc1CO.
What is the InChIKey of 5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one?
The InChIKey is GWJKMMZPMJZJFF-CSKARUKUSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-30-23-12-16(7-9-18(23)15-27)8-10-21(28)17-4-2-5-19(13-17)26-14-20(25-24(26)29)22-6-3-11-31-22/h2-14,27H,15H2,1H3,(H,25,29)/b10-8+.
What are the key properties of 5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one?
5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one has a molecular weight of 416.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 89432968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).