benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine

C22H19ClN4O2 — CID 144548771

IUPACbenzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
SMILESNCCOc1ccc2ncc(-c3cc4cc(Cl)ccc4o3)n2n1.c1ccccc1
InChIInChI=1S/C16H13ClN4O2.C6H6/c17-11-1-2-13-10(7-11)8-14(23-13)12-9-19-15-3-4-16(20-21(12)15)22-6-5-18;1-2-4-6-5-3-1/h1-4,7-9H,5-6,18H2;1-6H
InChIKeyRLJMJUNXXODKLF-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.82
Rot. Bonds4

About benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine

benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine (PubChem CID 144548771) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine.

Molecular Properties

Compound Namebenzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
PubChem CID144548771
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Namebenzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
SMILESNCCOc1ccc2ncc(-c3cc4cc(Cl)ccc4o3)n2n1.c1ccccc1
InChIInChI=1S/C16H13ClN4O2.C6H6/c17-11-1-2-13-10(7-11)8-14(23-13)12-9-19-15-3-4-16(20-21(12)15)22-6-5-18;1-2-4-6-5-3-1/h1-4,7-9H,5-6,18H2;1-6H
InChIKeyRLJMJUNXXODKLF-UHFFFAOYSA-N
XLogP4.82
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine?
The IUPAC name of benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine (CID 144548771) is benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine.
What is the SMILES notation for benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine?
The canonical SMILES for benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine is NCCOc1ccc2ncc(-c3cc4cc(Cl)ccc4o3)n2n1.c1ccccc1.
What is the InChIKey of benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine?
The InChIKey is RLJMJUNXXODKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2.C6H6/c17-11-1-2-13-10(7-11)8-14(23-13)12-9-19-15-3-4-16(20-21(12)15)22-6-5-18;1-2-4-6-5-3-1/h1-4,7-9H,5-6,18H2;1-6H.
What are the key properties of benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine?
benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine has a molecular weight of 406.87 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine is sourced from PubChem (CID 144548771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).