1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole

C23H20N6O — CID 66555795

IUPAC1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole
SMILESCn1cc(-c2ccnnc2)c(COc2ccc(-c3cccc4c3ncn4C)cc2)n1
InChIInChI=1S/C23H20N6O/c1-28-15-24-23-19(4-3-5-22(23)28)16-6-8-18(9-7-16)30-14-21-20(13-29(2)27-21)17-10-11-25-26-12-17/h3-13,15H,14H2,1-2H3
InChIKeyJOAYTOCDFUDFJJ-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.01
Rot. Bonds5

About 1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole

1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole (PubChem CID 66555795) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole
PubChem CID66555795
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole
SMILESCn1cc(-c2ccnnc2)c(COc2ccc(-c3cccc4c3ncn4C)cc2)n1
InChIInChI=1S/C23H20N6O/c1-28-15-24-23-19(4-3-5-22(23)28)16-6-8-18(9-7-16)30-14-21-20(13-29(2)27-21)17-10-11-25-26-12-17/h3-13,15H,14H2,1-2H3
InChIKeyJOAYTOCDFUDFJJ-UHFFFAOYSA-N
XLogP4.01
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole?
The IUPAC name of 1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole (CID 66555795) is 1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole.
What is the SMILES notation for 1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole?
The canonical SMILES for 1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole is Cn1cc(-c2ccnnc2)c(COc2ccc(-c3cccc4c3ncn4C)cc2)n1.
What is the InChIKey of 1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole?
The InChIKey is JOAYTOCDFUDFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-28-15-24-23-19(4-3-5-22(23)28)16-6-8-18(9-7-16)30-14-21-20(13-29(2)27-21)17-10-11-25-26-12-17/h3-13,15H,14H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole?
1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole has a molecular weight of 396.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(1-methyl-4-pyridazin-4-ylpyrazol-3-yl)methoxy]phenyl]benzimidazole is sourced from PubChem (CID 66555795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).