N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide

C27H21N5O3 — CID 122306722

IUPACN-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)nn1
InChIInChI=1S/C27H21N5O3/c1-19-28-17-18-32(19)25-15-16-26(31-30-25)35-24-13-9-21(10-14-24)29-27(33)20-7-11-23(12-8-20)34-22-5-3-2-4-6-22/h2-18H,1H3,(H,29,33)
InChIKeyHYLNZSCAUZVDGT-UHFFFAOYSA-N
MW463.50 g/mol
LogP5.81
Rot. Bonds7

About N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide

N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide (PubChem CID 122306722) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
PubChem CID122306722
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC NameN-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)nn1
InChIInChI=1S/C27H21N5O3/c1-19-28-17-18-32(19)25-15-16-26(31-30-25)35-24-13-9-21(10-14-24)29-27(33)20-7-11-23(12-8-20)34-22-5-3-2-4-6-22/h2-18H,1H3,(H,29,33)
InChIKeyHYLNZSCAUZVDGT-UHFFFAOYSA-N
XLogP5.81
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306515
4-cyano-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306726
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306527
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide
CID 122312815
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
CID 122306543
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122306584
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
CID 122306542
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(2-methylphenoxy)acetamide
CID 122306694
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588
1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306583
1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306656
2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306741

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide?
The IUPAC name of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide (CID 122306722) is N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide?
The canonical SMILES for N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide is Cc1nccn1-c1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)nn1.
What is the InChIKey of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide?
The InChIKey is HYLNZSCAUZVDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c1-19-28-17-18-32(19)25-15-16-26(31-30-25)35-24-13-9-21(10-14-24)29-27(33)20-7-11-23(12-8-20)34-22-5-3-2-4-6-22/h2-18H,1H3,(H,29,33).
What are the key properties of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide?
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide has a molecular weight of 463.50 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide is sourced from PubChem (CID 122306722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).