2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine

C21H23N5O — CID 118278242

IUPAC2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
SMILESCc1nc2c(C)c(C)c(OCc3nc(-c4ccccc4)cn3C)nn2c1C
InChIInChI=1S/C21H23N5O/c1-13-14(2)21(24-26-16(4)15(3)22-20(13)26)27-12-19-23-18(11-25(19)5)17-9-7-6-8-10-17/h6-11H,12H2,1-5H3
InChIKeyDMDCGOXWVYOFMT-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.94
Rot. Bonds4

About 2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine

2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine (PubChem CID 118278242) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
PubChem CID118278242
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
SMILESCc1nc2c(C)c(C)c(OCc3nc(-c4ccccc4)cn3C)nn2c1C
InChIInChI=1S/C21H23N5O/c1-13-14(2)21(24-26-16(4)15(3)22-20(13)26)27-12-19-23-18(11-25(19)5)17-9-7-6-8-10-17/h6-11H,12H2,1-5H3
InChIKeyDMDCGOXWVYOFMT-UHFFFAOYSA-N
XLogP3.94
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine (CID 118278242) is 2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine is Cc1nc2c(C)c(C)c(OCc3nc(-c4ccccc4)cn3C)nn2c1C.
What is the InChIKey of 2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine?
The InChIKey is DMDCGOXWVYOFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-13-14(2)21(24-26-16(4)15(3)22-20(13)26)27-12-19-23-18(11-25(19)5)17-9-7-6-8-10-17/h6-11H,12H2,1-5H3.
What are the key properties of 2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine?
2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine has a molecular weight of 361.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetramethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).