2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one

C25H16ClFN4O2 — CID 58585324

IUPAC2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one
SMILESO=c1c(Oc2ccc(-c3ccccc3F)cc2)c(-n2ccnc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C25H16ClFN4O2/c26-18-7-9-19(10-8-18)31-25(32)24(23(15-29-31)30-14-13-28-16-30)33-20-11-5-17(6-12-20)21-3-1-2-4-22(21)27/h1-16H
InChIKeyXDXBXCAGAIHQBH-UHFFFAOYSA-N
MW458.88 g/mol
LogP5.67
Rot. Bonds5

About 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one

2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one (PubChem CID 58585324) has the molecular formula C25H16ClFN4O2 and a molecular weight of 458.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one
PubChem CID58585324
Molecular FormulaC25H16ClFN4O2
Molecular Weight458.88 g/mol
Exact Mass458.09
IUPAC Name2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one
SMILESO=c1c(Oc2ccc(-c3ccccc3F)cc2)c(-n2ccnc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C25H16ClFN4O2/c26-18-7-9-19(10-8-18)31-25(32)24(23(15-29-31)30-14-13-28-16-30)33-20-11-5-17(6-12-20)21-3-1-2-4-22(21)27/h1-16H
InChIKeyXDXBXCAGAIHQBH-UHFFFAOYSA-N
XLogP5.67
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.88
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one (CID 58585324) is 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one is O=c1c(Oc2ccc(-c3ccccc3F)cc2)c(-n2ccnc2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one?
The InChIKey is XDXBXCAGAIHQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClFN4O2/c26-18-7-9-19(10-8-18)31-25(32)24(23(15-29-31)30-14-13-28-16-30)33-20-11-5-17(6-12-20)21-3-1-2-4-22(21)27/h1-16H.
What are the key properties of 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one?
2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one has a molecular weight of 458.88 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[4-(2-fluorophenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one is sourced from PubChem (CID 58585324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).