1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea

C22H20N6O2S — CID 122306653

IUPAC1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2ccc(Oc3ccc(-n4ccnc4C)nn3)cc2)c1
InChIInChI=1S/C22H20N6O2S/c1-15-23-12-13-28(15)20-10-11-21(27-26-20)30-18-8-6-16(7-9-18)24-22(29)25-17-4-3-5-19(14-17)31-2/h3-14H,1-2H3,(H2,24,25,29)
InChIKeyCNHQZZLWQFJIJF-UHFFFAOYSA-N
MW432.51 g/mol
LogP5.13
Rot. Bonds6

About 1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea

1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 122306653) has the molecular formula C22H20N6O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is 1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea
PubChem CID122306653
Molecular FormulaC22H20N6O2S
Molecular Weight432.51 g/mol
Exact Mass432.14
IUPAC Name1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2ccc(Oc3ccc(-n4ccnc4C)nn3)cc2)c1
InChIInChI=1S/C22H20N6O2S/c1-15-23-12-13-28(15)20-10-11-21(27-26-20)30-18-8-6-16(7-9-18)24-22(29)25-17-4-3-5-19(14-17)31-2/h3-14H,1-2H3,(H2,24,25,29)
InChIKeyCNHQZZLWQFJIJF-UHFFFAOYSA-N
XLogP5.13
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306583
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122306588
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122306584
1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306656
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methylphenyl)acetamide
CID 122306699
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306527
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122306722
1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea
CID 122312668
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
CID 122306543
2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306698
4-tert-butyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306515
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312314

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea (CID 122306653) is 1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)Nc2ccc(Oc3ccc(-n4ccnc4C)nn3)cc2)c1.
What is the InChIKey of 1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is CNHQZZLWQFJIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2S/c1-15-23-12-13-28(15)20-10-11-21(27-26-20)30-18-8-6-16(7-9-18)24-22(29)25-17-4-3-5-19(14-17)31-2/h3-14H,1-2H3,(H2,24,25,29).
What are the key properties of 1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea?
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea has a molecular weight of 432.51 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 122306653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).