4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one

C23H21FN4O2 — CID 59527976

IUPAC4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one
SMILESCOc1cc(/C=C/C2=NC(C)(c3ccc(F)cc3)C(=O)N2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H21FN4O2/c1-15-13-28(14-25-15)19-10-4-16(12-20(19)30-3)5-11-21-26-22(29)23(2,27-21)17-6-8-18(24)9-7-17/h4-14H,1-3H3,(H,26,27,29)/b11-5+
InChIKeyFFWCVXCMVQJUJN-VZUCSPMQSA-N
MW404.45 g/mol
LogP3.79
Rot. Bonds5

About 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one

4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one (PubChem CID 59527976) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one
PubChem CID59527976
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one
SMILESCOc1cc(/C=C/C2=NC(C)(c3ccc(F)cc3)C(=O)N2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H21FN4O2/c1-15-13-28(14-25-15)19-10-4-16(12-20(19)30-3)5-11-21-26-22(29)23(2,27-21)17-6-8-18(24)9-7-17/h4-14H,1-3H3,(H,26,27,29)/b11-5+
InChIKeyFFWCVXCMVQJUJN-VZUCSPMQSA-N
XLogP3.79
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one?
The IUPAC name of 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one (CID 59527976) is 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one is COc1cc(/C=C/C2=NC(C)(c3ccc(F)cc3)C(=O)N2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one?
The InChIKey is FFWCVXCMVQJUJN-VZUCSPMQSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-15-13-28(14-25-15)19-10-4-16(12-20(19)30-3)5-11-21-26-22(29)23(2,27-21)17-6-8-18(24)9-7-17/h4-14H,1-3H3,(H,26,27,29)/b11-5+.
What are the key properties of 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one?
4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one has a molecular weight of 404.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 59527976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).