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

C23H22N6O2 — CID 122306583

IUPAC1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Oc3ccc(-n4ccnc4C)nn3)cc2)cc1C
InChIInChI=1S/C23H22N6O2/c1-15-4-5-19(14-16(15)2)26-23(30)25-18-6-8-20(9-7-18)31-22-11-10-21(27-28-22)29-13-12-24-17(29)3/h4-14H,1-3H3,(H2,25,26,30)
InChIKeyOCMQSOCQEOMUHY-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.02
Rot. Bonds5

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

1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea (PubChem CID 122306583) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
PubChem CID122306583
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Oc3ccc(-n4ccnc4C)nn3)cc2)cc1C
InChIInChI=1S/C23H22N6O2/c1-15-4-5-19(14-16(15)2)26-23(30)25-18-6-8-20(9-7-18)31-22-11-10-21(27-28-22)29-13-12-24-17(29)3/h4-14H,1-3H3,(H2,25,26,30)
InChIKeyOCMQSOCQEOMUHY-UHFFFAOYSA-N
XLogP5.02
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122306584
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3-methylsulfanylphenyl)urea
CID 122306653
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122306588
1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306656
1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 122306659
4-tert-butyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306515
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-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312314
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methylphenyl)acetamide
CID 122306699
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(2-methylphenoxy)acetamide
CID 122306694
5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306552

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea (CID 122306583) is 1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea is Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(-n4ccnc4C)nn3)cc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?
The InChIKey is OCMQSOCQEOMUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-15-4-5-19(14-16(15)2)26-23(30)25-18-6-8-20(9-7-18)31-22-11-10-21(27-28-22)29-13-12-24-17(29)3/h4-14H,1-3H3,(H2,25,26,30).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?
1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea has a molecular weight of 414.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea is sourced from PubChem (CID 122306583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).