2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine

C22H21N3O2 — CID 11222115

IUPAC2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine
SMILESCOCCOc1ccc(-c2nc3ccc(-c4ccccc4)nn3c2C)cc1
InChIInChI=1S/C22H21N3O2/c1-16-22(18-8-10-19(11-9-18)27-15-14-26-2)23-21-13-12-20(24-25(16)21)17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3
InChIKeyWJYRATREYRMMCZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.40
Rot. Bonds6

About 2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine

2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine (PubChem CID 11222115) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine
PubChem CID11222115
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine
SMILESCOCCOc1ccc(-c2nc3ccc(-c4ccccc4)nn3c2C)cc1
InChIInChI=1S/C22H21N3O2/c1-16-22(18-8-10-19(11-9-18)27-15-14-26-2)23-21-13-12-20(24-25(16)21)17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3
InChIKeyWJYRATREYRMMCZ-UHFFFAOYSA-N
XLogP4.40
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine
CID 11349252
6-(cyclopropylmethoxy)-2-[3-(2-methoxyethoxy)phenyl]-3-methylimidazo[1,2-b]pyridazine
CID 11382631
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
2-(2-methoxyethoxy)-6-phenylnaphthalene
CID 139902348
2-[4-(2-methoxyethoxy)phenyl]-7-phenylquinolin-4-amine
CID 176600656
1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole
CID 121498205
(1R)-1-[6-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]ethanol
CID 126446543
3-methyl-6-phenylimidazo[1,2-b]pyridazine
CID 13112863
6-(3-butoxyphenyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 69187154
6-[4-(2-methoxyethoxy)phenyl]pyridazin-3-amine
CID 96662586
3-[4-[5,6-bis[4-(2-methoxyethoxy)phenyl]-1,2,4-triazin-3-yl]phenyl]-5,6-bis[4-(2-methoxyethoxy)phenyl]-1,2,4-triazine;methane
CID 159687313
[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine
CID 79485113

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine (CID 11222115) is 2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine is COCCOc1ccc(-c2nc3ccc(-c4ccccc4)nn3c2C)cc1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine?
The InChIKey is WJYRATREYRMMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-22(18-8-10-19(11-9-18)27-15-14-26-2)23-21-13-12-20(24-25(16)21)17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine?
2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine has a molecular weight of 359.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11222115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).