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

C22H15FN2O3 — CID 67378952

IUPAC3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1cccc(-n2cc(-c3ccco3)[nH]c2=O)c1
InChIInChI=1S/C22H15FN2O3/c23-17-9-6-15(7-10-17)8-11-20(26)16-3-1-4-18(13-16)25-14-19(24-22(25)27)21-5-2-12-28-21/h1-14H,(H,24,27)/b11-8+
InChIKeyUEYFGTWMMKZRTC-DHZHZOJOSA-N
MW374.37 g/mol
LogP4.46
Rot. Bonds5

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

3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one (PubChem CID 67378952) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is 3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one
PubChem CID67378952
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1cccc(-n2cc(-c3ccco3)[nH]c2=O)c1
InChIInChI=1S/C22H15FN2O3/c23-17-9-6-15(7-10-17)8-11-20(26)16-3-1-4-18(13-16)25-14-19(24-22(25)27)21-5-2-12-28-21/h1-14H,(H,24,27)/b11-8+
InChIKeyUEYFGTWMMKZRTC-DHZHZOJOSA-N
XLogP4.46
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
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 3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one?
The IUPAC name of 3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one (CID 67378952) is 3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one is O=C(/C=C/c1ccc(F)cc1)c1cccc(-n2cc(-c3ccco3)[nH]c2=O)c1.
What is the InChIKey of 3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one?
The InChIKey is UEYFGTWMMKZRTC-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H15FN2O3/c23-17-9-6-15(7-10-17)8-11-20(26)16-3-1-4-18(13-16)25-14-19(24-22(25)27)21-5-2-12-28-21/h1-14H,(H,24,27)/b11-8+.
What are the key properties of 3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one?
3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one has a molecular weight of 374.37 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(furan-2-yl)-1H-imidazol-2-one is sourced from PubChem (CID 67378952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).