4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

C42H28N10 — CID 160880162

IUPAC4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1cc(-n2c3ccccc3n3c4cccc(Cc5cnccn5)c4nc23)cc(-n2c3ccccc3n3c4cccc(Cc5cnccn5)c4nc23)c1
InChIInChI=1S/C42H28N10/c1-3-14-35-33(12-1)49(41-47-39-27(8-5-16-37(39)51(35)41)22-29-25-43-18-20-45-29)31-10-7-11-32(24-31)50-34-13-2-4-15-36(34)52-38-17-6-9-28(40(38)48-42(50)52)23-30-26-44-19-21-46-30/h1-21,24-26H,22-23H2
InChIKeyAYJQHJXQRSVAKO-UHFFFAOYSA-N
MW672.76 g/mol
LogP7.94
Rot. Bonds6

About 4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 160880162) has the molecular formula C42H28N10 and a molecular weight of 672.76 g/mol. Its IUPAC name is 4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID160880162
Molecular FormulaC42H28N10
Molecular Weight672.76 g/mol
Exact Mass672.25
IUPAC Name4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1cc(-n2c3ccccc3n3c4cccc(Cc5cnccn5)c4nc23)cc(-n2c3ccccc3n3c4cccc(Cc5cnccn5)c4nc23)c1
InChIInChI=1S/C42H28N10/c1-3-14-35-33(12-1)49(41-47-39-27(8-5-16-37(39)51(35)41)22-29-25-43-18-20-45-29)31-10-7-11-32(24-31)50-34-13-2-4-15-36(34)52-38-17-6-9-28(40(38)48-42(50)52)23-30-26-44-19-21-46-30/h1-21,24-26H,22-23H2
InChIKeyAYJQHJXQRSVAKO-UHFFFAOYSA-N
XLogP7.94
TPSA96.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.76
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole 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 4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (CID 160880162) is 4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is c1cc(-n2c3ccccc3n3c4cccc(Cc5cnccn5)c4nc23)cc(-n2c3ccccc3n3c4cccc(Cc5cnccn5)c4nc23)c1.
What is the InChIKey of 4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is AYJQHJXQRSVAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N10/c1-3-14-35-33(12-1)49(41-47-39-27(8-5-16-37(39)51(35)41)22-29-25-43-18-20-45-29)31-10-7-11-32(24-31)50-34-13-2-4-15-36(34)52-38-17-6-9-28(40(38)48-42(50)52)23-30-26-44-19-21-46-30/h1-21,24-26H,22-23H2.
What are the key properties of 4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 672.76 g/mol, XLogP of 7.94, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazin-2-ylmethyl)-6-[3-[4-(pyrazin-2-ylmethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 160880162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).