1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole

C26H20N6 — CID 53300341

IUPAC1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole
SMILESc1ccc(Cn2c(Cn3c(-c4cnccn4)nc4ccccc43)nc3ccccc32)cc1
InChIInChI=1S/C26H20N6/c1-2-8-19(9-3-1)17-31-23-12-6-4-10-20(23)29-25(31)18-32-24-13-7-5-11-21(24)30-26(32)22-16-27-14-15-28-22/h1-16H,17-18H2
InChIKeyZNTJWPLSSKSTRV-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.94
Rot. Bonds5

About 1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole

1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole (PubChem CID 53300341) has the molecular formula C26H20N6 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole
PubChem CID53300341
Molecular FormulaC26H20N6
Molecular Weight416.49 g/mol
Exact Mass416.17
IUPAC Name1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole
SMILESc1ccc(Cn2c(Cn3c(-c4cnccn4)nc4ccccc43)nc3ccccc32)cc1
InChIInChI=1S/C26H20N6/c1-2-8-19(9-3-1)17-31-23-12-6-4-10-20(23)29-25(31)18-32-24-13-7-5-11-21(24)30-26(32)22-16-27-14-15-28-22/h1-16H,17-18H2
InChIKeyZNTJWPLSSKSTRV-UHFFFAOYSA-N
XLogP4.94
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole (CID 53300341) is 1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole is c1ccc(Cn2c(Cn3c(-c4cnccn4)nc4ccccc43)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole?
The InChIKey is ZNTJWPLSSKSTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6/c1-2-8-19(9-3-1)17-31-23-12-6-4-10-20(23)29-25(31)18-32-24-13-7-5-11-21(24)30-26(32)22-16-27-14-15-28-22/h1-16H,17-18H2.
What are the key properties of 1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole?
1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole has a molecular weight of 416.49 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole is sourced from PubChem (CID 53300341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).