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

C22H14ClFN2O3 — CID 77270475

IUPAC5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
SMILESO=C(C=Cc1ccc(F)cc1)c1cccc(-n2cc(-c3ccc(Cl)o3)[nH]c2=O)c1
InChIInChI=1S/C22H14ClFN2O3/c23-21-11-10-20(29-21)18-13-26(22(28)25-18)17-3-1-2-15(12-17)19(27)9-6-14-4-7-16(24)8-5-14/h1-13H,(H,25,28)
InChIKeyIWLPBVDTWBUGMP-UHFFFAOYSA-N
MW408.82 g/mol
LogP5.11
Rot. Bonds5

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

5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one (PubChem CID 77270475) has the molecular formula C22H14ClFN2O3 and a molecular weight of 408.82 g/mol. Its IUPAC name is 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
PubChem CID77270475
Molecular FormulaC22H14ClFN2O3
Molecular Weight408.82 g/mol
Exact Mass408.07
IUPAC Name5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
SMILESO=C(C=Cc1ccc(F)cc1)c1cccc(-n2cc(-c3ccc(Cl)o3)[nH]c2=O)c1
InChIInChI=1S/C22H14ClFN2O3/c23-21-11-10-20(29-21)18-13-26(22(28)25-18)17-3-1-2-15(12-17)19(27)9-6-14-4-7-16(24)8-5-14/h1-13H,(H,25,28)
InChIKeyIWLPBVDTWBUGMP-UHFFFAOYSA-N
XLogP5.11
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.82
LogP ≤ 55.11
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 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one?
The IUPAC name of 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one (CID 77270475) is 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one is O=C(C=Cc1ccc(F)cc1)c1cccc(-n2cc(-c3ccc(Cl)o3)[nH]c2=O)c1.
What is the InChIKey of 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one?
The InChIKey is IWLPBVDTWBUGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2O3/c23-21-11-10-20(29-21)18-13-26(22(28)25-18)17-3-1-2-15(12-17)19(27)9-6-14-4-7-16(24)8-5-14/h1-13H,(H,25,28).
What are the key properties of 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one?
5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one has a molecular weight of 408.82 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorofuran-2-yl)-3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 77270475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).