4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole

C23H21FN4 — CID 58259643

IUPAC4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole
SMILESCc1cn(-c2ccc(/C=C/c3nc(-c4ccc(F)cc4)cn3C)cc2C)cn1
InChIInChI=1S/C23H21FN4/c1-16-12-18(4-10-22(16)28-13-17(2)25-15-28)5-11-23-26-21(14-27(23)3)19-6-8-20(24)9-7-19/h4-15H,1-3H3/b11-5+
InChIKeyLEQXZLZXWXALIE-VZUCSPMQSA-N
MW372.45 g/mol
LogP5.20
Rot. Bonds4

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

4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole (PubChem CID 58259643) has the molecular formula C23H21FN4 and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole
PubChem CID58259643
Molecular FormulaC23H21FN4
Molecular Weight372.45 g/mol
Exact Mass372.18
IUPAC Name4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole
SMILESCc1cn(-c2ccc(/C=C/c3nc(-c4ccc(F)cc4)cn3C)cc2C)cn1
InChIInChI=1S/C23H21FN4/c1-16-12-18(4-10-22(16)28-13-17(2)25-15-28)5-11-23-26-21(14-27(23)3)19-6-8-20(24)9-7-19/h4-15H,1-3H3/b11-5+
InChIKeyLEQXZLZXWXALIE-VZUCSPMQSA-N
XLogP5.20
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole?
The IUPAC name of 4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole (CID 58259643) is 4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole?
The canonical SMILES for 4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole is Cc1cn(-c2ccc(/C=C/c3nc(-c4ccc(F)cc4)cn3C)cc2C)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole?
The InChIKey is LEQXZLZXWXALIE-VZUCSPMQSA-N. The full InChI is InChI=1S/C23H21FN4/c1-16-12-18(4-10-22(16)28-13-17(2)25-15-28)5-11-23-26-21(14-27(23)3)19-6-8-20(24)9-7-19/h4-15H,1-3H3/b11-5+.
What are the key properties of 4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole?
4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole has a molecular weight of 372.45 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methyl-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]imidazole is sourced from PubChem (CID 58259643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).