5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one

C23H17FN2O2 — CID 71950639

IUPAC5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
SMILESCOc1ccc(C2=NC(=Cc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17FN2O2/c1-28-20-13-7-17(8-14-20)22-25-21(15-16-5-3-2-4-6-16)23(27)26(22)19-11-9-18(24)10-12-19/h2-15H,1H3
InChIKeyKFPPANJLVRSPGX-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.67
Rot. Bonds4

About 5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one

5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one (PubChem CID 71950639) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one.

Molecular Properties

Compound Name5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
PubChem CID71950639
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
SMILESCOc1ccc(C2=NC(=Cc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17FN2O2/c1-28-20-13-7-17(8-14-20)22-25-21(15-16-5-3-2-4-6-16)23(27)26(22)19-11-9-18(24)10-12-19/h2-15H,1H3
InChIKeyKFPPANJLVRSPGX-UHFFFAOYSA-N
XLogP4.67
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one?
The IUPAC name of 5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one (CID 71950639) is 5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one.
What is the SMILES notation for 5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one?
The canonical SMILES for 5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one is COc1ccc(C2=NC(=Cc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of 5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one?
The InChIKey is KFPPANJLVRSPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c1-28-20-13-7-17(8-14-20)22-25-21(15-16-5-3-2-4-6-16)23(27)26(22)19-11-9-18(24)10-12-19/h2-15H,1H3.
What are the key properties of 5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one?
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one has a molecular weight of 372.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one is sourced from PubChem (CID 71950639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).