5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide

C22H18ClN5O3 — CID 122306552

IUPAC5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccc(-n3ccnc3C)nn2)cc1
InChIInChI=1S/C22H18ClN5O3/c1-14-24-11-12-28(14)20-9-10-21(27-26-20)31-17-6-4-16(5-7-17)25-22(29)18-13-15(23)3-8-19(18)30-2/h3-13H,1-2H3,(H,25,29)
InChIKeyMQPQZCXHQJTJLK-UHFFFAOYSA-N
MW435.87 g/mol
LogP4.68
Rot. Bonds6

About 5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide

5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide (PubChem CID 122306552) has the molecular formula C22H18ClN5O3 and a molecular weight of 435.87 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
PubChem CID122306552
Molecular FormulaC22H18ClN5O3
Molecular Weight435.87 g/mol
Exact Mass435.11
IUPAC Name5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccc(-n3ccnc3C)nn2)cc1
InChIInChI=1S/C22H18ClN5O3/c1-14-24-11-12-28(14)20-9-10-21(27-26-20)31-17-6-4-16(5-7-17)25-22(29)18-13-15(23)3-8-19(18)30-2/h3-13H,1-2H3,(H,25,29)
InChIKeyMQPQZCXHQJTJLK-UHFFFAOYSA-N
XLogP4.68
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306527
5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304662
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122306584
1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306583
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122306722
4-tert-butyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306515
2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306741
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
CID 122306543
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312242
2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide
CID 122312491
4-cyano-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306726
2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306618

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide (CID 122306552) is 5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccc(-n3ccnc3C)nn2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The InChIKey is MQPQZCXHQJTJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3/c1-14-24-11-12-28(14)20-9-10-21(27-26-20)31-17-6-4-16(5-7-17)25-22(29)18-13-15(23)3-8-19(18)30-2/h3-13H,1-2H3,(H,25,29).
What are the key properties of 5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide has a molecular weight of 435.87 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide is sourced from PubChem (CID 122306552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).