4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole

C23H21FN4O — CID 24852096

IUPAC4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole
SMILESCOc1cc(/C=C/c2nc(-c3ccc(F)cc3)cn2C)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H21FN4O/c1-16-13-28(15-25-16)21-10-4-17(12-22(21)29-3)5-11-23-26-20(14-27(23)2)18-6-8-19(24)9-7-18/h4-15H,1-3H3/b11-5+
InChIKeyPWVHPGTXAKBAQE-VZUCSPMQSA-N
MW388.45 g/mol
LogP4.90
Rot. Bonds5

About 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole

4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole (PubChem CID 24852096) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole
PubChem CID24852096
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole
SMILESCOc1cc(/C=C/c2nc(-c3ccc(F)cc3)cn2C)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H21FN4O/c1-16-13-28(15-25-16)21-10-4-17(12-22(21)29-3)5-11-23-26-20(14-27(23)2)18-6-8-19(24)9-7-18/h4-15H,1-3H3/b11-5+
InChIKeyPWVHPGTXAKBAQE-VZUCSPMQSA-N
XLogP4.90
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
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]-1-methylimidazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole (CID 24852096) is 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole is COc1cc(/C=C/c2nc(-c3ccc(F)cc3)cn2C)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole?
The InChIKey is PWVHPGTXAKBAQE-VZUCSPMQSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-16-13-28(15-25-16)21-10-4-17(12-22(21)29-3)5-11-23-26-20(14-27(23)2)18-6-8-19(24)9-7-18/h4-15H,1-3H3/b11-5+.
What are the key properties of 4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole?
4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methylimidazole has a molecular weight of 388.45 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 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]-1-methylimidazole is sourced from PubChem (CID 24852096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).