6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide

C23H17F3N6O4 — CID 53472157

IUPAC6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(Nc1nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2[nH]1)c1cn2nc(OCCO)ccc2n1
InChIInChI=1S/C23H17F3N6O4/c24-23(25,26)36-15-3-1-2-13(10-15)14-4-5-16-17(11-14)29-22(28-16)30-21(34)18-12-32-19(27-18)6-7-20(31-32)35-9-8-33/h1-7,10-12,33H,8-9H2,(H2,28,29,30,34)
InChIKeyQNLQYOFMHNSOBR-UHFFFAOYSA-N
MW498.42 g/mol
LogP3.79
Rot. Bonds7

About 6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide

6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 53472157) has the molecular formula C23H17F3N6O4 and a molecular weight of 498.42 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID53472157
Molecular FormulaC23H17F3N6O4
Molecular Weight498.42 g/mol
Exact Mass498.13
IUPAC Name6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(Nc1nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2[nH]1)c1cn2nc(OCCO)ccc2n1
InChIInChI=1S/C23H17F3N6O4/c24-23(25,26)36-15-3-1-2-13(10-15)14-4-5-16-17(11-14)29-22(28-16)30-21(34)18-12-32-19(27-18)6-7-20(31-32)35-9-8-33/h1-7,10-12,33H,8-9H2,(H2,28,29,30,34)
InChIKeyQNLQYOFMHNSOBR-UHFFFAOYSA-N
XLogP3.79
TPSA126.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.42
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide (CID 53472157) is 6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide is O=C(Nc1nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2[nH]1)c1cn2nc(OCCO)ccc2n1.
What is the InChIKey of 6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is QNLQYOFMHNSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O4/c24-23(25,26)36-15-3-1-2-13(10-15)14-4-5-16-17(11-14)29-22(28-16)30-21(34)18-12-32-19(27-18)6-7-20(31-32)35-9-8-33/h1-7,10-12,33H,8-9H2,(H2,28,29,30,34).
What are the key properties of 6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide?
6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 498.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 53472157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).