4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one

C24H23FN4O2 — CID 25143209

IUPAC4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one
SMILESCOc1cc(/C=C/C2=NC(C)(c3ccc(F)cc3)CC(=O)N2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23FN4O2/c1-16-14-29(15-26-16)20-10-4-17(12-21(20)31-3)5-11-22-27-23(30)13-24(2,28-22)18-6-8-19(25)9-7-18/h4-12,14-15H,13H2,1-3H3,(H,27,28,30)/b11-5+
InChIKeyMOJCLQXXZZOMAH-VZUCSPMQSA-N
MW418.47 g/mol
LogP4.18
Rot. Bonds5

About 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one

4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one (PubChem CID 25143209) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one
PubChem CID25143209
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one
SMILESCOc1cc(/C=C/C2=NC(C)(c3ccc(F)cc3)CC(=O)N2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23FN4O2/c1-16-14-29(15-26-16)20-10-4-17(12-21(20)31-3)5-11-22-27-23(30)13-24(2,28-22)18-6-8-19(25)9-7-18/h4-12,14-15H,13H2,1-3H3,(H,27,28,30)/b11-5+
InChIKeyMOJCLQXXZZOMAH-VZUCSPMQSA-N
XLogP4.18
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.18
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-1,5-dihydropyrimidin-6-one?
The IUPAC name of 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one (CID 25143209) is 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one is COc1cc(/C=C/C2=NC(C)(c3ccc(F)cc3)CC(=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-1,5-dihydropyrimidin-6-one?
The InChIKey is MOJCLQXXZZOMAH-VZUCSPMQSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-16-14-29(15-26-16)20-10-4-17(12-21(20)31-3)5-11-22-27-23(30)13-24(2,28-22)18-6-8-19(25)9-7-18/h4-12,14-15H,13H2,1-3H3,(H,27,28,30)/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-1,5-dihydropyrimidin-6-one?
4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one has a molecular weight of 418.47 g/mol, XLogP of 4.18, 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-1,5-dihydropyrimidin-6-one is sourced from PubChem (CID 25143209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).