2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine

C20H17N3 — CID 69420103

IUPAC2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine
SMILESCc1ccc(-c2ccc(-c3cn4ncccc4n3)c(C)c2)cc1
InChIInChI=1S/C20H17N3/c1-14-5-7-16(8-6-14)17-9-10-18(15(2)12-17)19-13-23-20(22-19)4-3-11-21-23/h3-13H,1-2H3
InChIKeyMGHUEMJFJHCJSB-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.68
Rot. Bonds2

About 2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine

2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 69420103) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine
PubChem CID69420103
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine
SMILESCc1ccc(-c2ccc(-c3cn4ncccc4n3)c(C)c2)cc1
InChIInChI=1S/C20H17N3/c1-14-5-7-16(8-6-14)17-9-10-18(15(2)12-17)19-13-23-20(22-19)4-3-11-21-23/h3-13H,1-2H3
InChIKeyMGHUEMJFJHCJSB-UHFFFAOYSA-N
XLogP4.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine (CID 69420103) is 2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine is Cc1ccc(-c2ccc(-c3cn4ncccc4n3)c(C)c2)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is MGHUEMJFJHCJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-14-5-7-16(8-6-14)17-9-10-18(15(2)12-17)19-13-23-20(22-19)4-3-11-21-23/h3-13H,1-2H3.
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine?
2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 299.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 69420103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).