2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole

C32H24N6 — CID 162640203

IUPAC2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2Cc2ccc(Cn3c(-c4ccccn4)nc4ccccc43)cc2)nc1
InChIInChI=1S/C32H24N6/c1-3-13-29-25(9-1)35-31(27-11-5-7-19-33-27)37(29)21-23-15-17-24(18-16-23)22-38-30-14-4-2-10-26(30)36-32(38)28-12-6-8-20-34-28/h1-20H,21-22H2
InChIKeySTHOMKDAMLUKSS-UHFFFAOYSA-N
MW492.59 g/mol
LogP6.61
Rot. Bonds6

About 2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole

2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole (PubChem CID 162640203) has the molecular formula C32H24N6 and a molecular weight of 492.59 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
PubChem CID162640203
Molecular FormulaC32H24N6
Molecular Weight492.59 g/mol
Exact Mass492.21
IUPAC Name2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2Cc2ccc(Cn3c(-c4ccccn4)nc4ccccc43)cc2)nc1
InChIInChI=1S/C32H24N6/c1-3-13-29-25(9-1)35-31(27-11-5-7-19-33-27)37(29)21-23-15-17-24(18-16-23)22-38-30-14-4-2-10-26(30)36-32(38)28-12-6-8-20-34-28/h1-20H,21-22H2
InChIKeySTHOMKDAMLUKSS-UHFFFAOYSA-N
XLogP6.61
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole?
The IUPAC name of 2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole (CID 162640203) is 2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole.
What is the SMILES notation for 2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole?
The canonical SMILES for 2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole is c1ccc(-c2nc3ccccc3n2Cc2ccc(Cn3c(-c4ccccn4)nc4ccccc43)cc2)nc1.
What is the InChIKey of 2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole?
The InChIKey is STHOMKDAMLUKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6/c1-3-13-29-25(9-1)35-31(27-11-5-7-19-33-27)37(29)21-23-15-17-24(18-16-23)22-38-30-14-4-2-10-26(30)36-32(38)28-12-6-8-20-34-28/h1-20H,21-22H2.
What are the key properties of 2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole?
2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole has a molecular weight of 492.59 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-[[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 162640203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).