6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine

C15H12ClN5S — CID 22335054

IUPAC6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine
SMILESCc1c(Cn2ccnc2-c2cccs2)nc2ccc(Cl)nn12
InChIInChI=1S/C15H12ClN5S/c1-10-11(18-14-5-4-13(16)19-21(10)14)9-20-7-6-17-15(20)12-3-2-8-22-12/h2-8H,9H2,1H3
InChIKeyOQXVWENRVQDKFW-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.66
Rot. Bonds3

About 6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine

6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine (PubChem CID 22335054) has the molecular formula C15H12ClN5S and a molecular weight of 329.82 g/mol. Its IUPAC name is 6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine
PubChem CID22335054
Molecular FormulaC15H12ClN5S
Molecular Weight329.82 g/mol
Exact Mass329.05
IUPAC Name6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine
SMILESCc1c(Cn2ccnc2-c2cccs2)nc2ccc(Cl)nn12
InChIInChI=1S/C15H12ClN5S/c1-10-11(18-14-5-4-13(16)19-21(10)14)9-20-7-6-17-15(20)12-3-2-8-22-12/h2-8H,9H2,1H3
InChIKeyOQXVWENRVQDKFW-UHFFFAOYSA-N
XLogP3.66
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine (CID 22335054) is 6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine is Cc1c(Cn2ccnc2-c2cccs2)nc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine?
The InChIKey is OQXVWENRVQDKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5S/c1-10-11(18-14-5-4-13(16)19-21(10)14)9-20-7-6-17-15(20)12-3-2-8-22-12/h2-8H,9H2,1H3.
What are the key properties of 6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine?
6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine has a molecular weight of 329.82 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 22335054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).