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

C22H25N5 — CID 118278105

IUPAC2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2c(C)c(C)c(CCc3nc(-c4ccccc4)cn3C)nn2c1C
InChIInChI=1S/C22H25N5/c1-14-15(2)22-23-16(3)17(4)27(22)25-19(14)11-12-21-24-20(13-26(21)5)18-9-7-6-8-10-18/h6-10,13H,11-12H2,1-5H3
InChIKeyCRCSMJHFWXMHCI-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.15
Rot. Bonds4

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

2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine (PubChem CID 118278105) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
PubChem CID118278105
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2c(C)c(C)c(CCc3nc(-c4ccccc4)cn3C)nn2c1C
InChIInChI=1S/C22H25N5/c1-14-15(2)22-23-16(3)17(4)27(22)25-19(14)11-12-21-24-20(13-26(21)5)18-9-7-6-8-10-18/h6-10,13H,11-12H2,1-5H3
InChIKeyCRCSMJHFWXMHCI-UHFFFAOYSA-N
XLogP4.15
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine (CID 118278105) is 2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine is Cc1nc2c(C)c(C)c(CCc3nc(-c4ccccc4)cn3C)nn2c1C.
What is the InChIKey of 2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The InChIKey is CRCSMJHFWXMHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-14-15(2)22-23-16(3)17(4)27(22)25-19(14)11-12-21-24-20(13-26(21)5)18-9-7-6-8-10-18/h6-10,13H,11-12H2,1-5H3.
What are the key properties of 2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine has a molecular weight of 359.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetramethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).