2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one

C77H59Cl3N12O7 — CID 161410898

About 2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one

2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one (PubChem CID 161410898) has the molecular formula C77H59Cl3N12O7 and a molecular weight of 1370.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one
• PubChem CID: 161410898
• Molecular Formula: C77H59Cl3N12O7
• Molecular Weight: 1370.75 g/mol
• Exact Mass: 1368.37
• IUPAC Name: 2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one
• SMILES: CN1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(-c3ccccc3)cc2)CC1.O=c1c(Oc2ccc(-c3ccc(O)cc3)cc2)c(-n2ccnc2)cnn1-c1ccc(Cl)cc1.O=c1c(Oc2ccc(-c3ccccc3)cc2)c(-n2ccnc2)cnn1-c1ccc(Cl)cc1
• InChI: InChI=1S/C27H25ClN4O2.C25H17ClN4O3.C25H17ClN4O2/c1-30-15-17-31(18-16-30)25-19-29-32(23-11-9-22(28)10-12-23)27(33)26(25)34-24-13-7-21(8-14-24)20-5-3-2-4-6-20;26-19-5-7-20(8-6-19)30-25(32)24(23(15-28-30)29-14-13-27-16-29)33-22-11-3-18(4-12-22)17-1-9-21(31)10-2-17;26-20-8-10-21(11-9-20)30-25(31)24(23(16-28-30)29-15-14-27-17-29)32-22-12-6-19(7-13-22)18-4-2-1-3-5-18/h2-14,19H,15-18H2,1H3;1-16,31H;1-17H
• InChIKey: VVLJWXQZOADMEI-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 194.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1370.75
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one?

The IUPAC name of 2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one (CID 161410898) is 2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one.

What is the SMILES notation for 2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one?

The canonical SMILES for 2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one is CN1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(-c3ccccc3)cc2)CC1.O=c1c(Oc2ccc(-c3ccc(O)cc3)cc2)c(-n2ccnc2)cnn1-c1ccc(Cl)cc1.O=c1c(Oc2ccc(-c3ccccc3)cc2)c(-n2ccnc2)cnn1-c1ccc(Cl)cc1.

What is the InChIKey of 2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one?

The InChIKey is VVLJWXQZOADMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2.C25H17ClN4O3.C25H17ClN4O2/c1-30-15-17-31(18-16-30)25-19-29-32(23-11-9-22(28)10-12-23)27(33)26(25)34-24-13-7-21(8-14-24)20-5-3-2-4-6-20;26-19-5-7-20(8-6-19)30-25(32)24(23(15-28-30)29-14-13-27-16-29)33-22-11-3-18(4-12-22)17-1-9-21(31)10-2-17;26-20-8-10-21(11-9-20)30-25(31)24(23(16-28-30)29-15-14-27-17-29)32-22-12-6-19(7-13-22)18-4-2-1-3-5-18/h2-14,19H,15-18H2,1H3;1-16,31H;1-17H.

What are the key properties of 2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one?

2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one has a molecular weight of 1370.75 g/mol, XLogP of 15.86, 15 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-imidazol-1-ylpyridazin-3-one;2-(4-chlorophenyl)-5-imidazol-1-yl-4-(4-phenylphenoxy)pyridazin-3-one;2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4-(4-phenylphenoxy)pyridazin-3-one is sourced from PubChem (CID 161410898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).