2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole

C26H17N7 — CID 10477610

IUPAC2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
SMILESc1cncc(-c2ccc3nc(-c4ccc5nc(-c6ccc7nc[nH]c7c6)[nH]c5c4)[nH]c3c2)c1
InChIInChI=1S/C26H17N7/c1-2-18(13-27-9-1)15-3-7-20-23(10-15)32-26(30-20)17-5-8-21-24(12-17)33-25(31-21)16-4-6-19-22(11-16)29-14-28-19/h1-14H,(H,28,29)(H,30,32)(H,31,33)
InChIKeyLQBOVUAWBSYKNE-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.71
Rot. Bonds3

About 2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole

2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole (PubChem CID 10477610) has the molecular formula C26H17N7 and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
PubChem CID10477610
Molecular FormulaC26H17N7
Molecular Weight427.47 g/mol
Exact Mass427.15
IUPAC Name2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
SMILESc1cncc(-c2ccc3nc(-c4ccc5nc(-c6ccc7nc[nH]c7c6)[nH]c5c4)[nH]c3c2)c1
InChIInChI=1S/C26H17N7/c1-2-18(13-27-9-1)15-3-7-20-23(10-15)32-26(30-20)17-5-8-21-24(12-17)33-25(31-21)16-4-6-19-22(11-16)29-14-28-19/h1-14H,(H,28,29)(H,30,32)(H,31,33)
InChIKeyLQBOVUAWBSYKNE-UHFFFAOYSA-N
XLogP5.71
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole (CID 10477610) is 2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole is c1cncc(-c2ccc3nc(-c4ccc5nc(-c6ccc7nc[nH]c7c6)[nH]c5c4)[nH]c3c2)c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The InChIKey is LQBOVUAWBSYKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N7/c1-2-18(13-27-9-1)15-3-7-20-23(10-15)32-26(30-20)17-5-8-21-24(12-17)33-25(31-21)16-4-6-19-22(11-16)29-14-28-19/h1-14H,(H,28,29)(H,30,32)(H,31,33).
What are the key properties of 2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole?
2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole has a molecular weight of 427.47 g/mol, XLogP of 5.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 10477610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).