6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole

C21H17N5 — CID 3532439

IUPAC6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5[nH]4)n3)[nH]c2c1
InChIInChI=1S/C21H17N5/c1-12-6-8-14-18(10-12)25-20(23-14)16-4-3-5-17(22-16)21-24-15-9-7-13(2)11-19(15)26-21/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeyCXHVMCLLVSAXIU-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.79
Rot. Bonds2

About 6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole

6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole (PubChem CID 3532439) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
PubChem CID3532439
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5[nH]4)n3)[nH]c2c1
InChIInChI=1S/C21H17N5/c1-12-6-8-14-18(10-12)25-20(23-14)16-4-3-5-17(22-16)21-24-15-9-7-13(2)11-19(15)26-21/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeyCXHVMCLLVSAXIU-UHFFFAOYSA-N
XLogP4.79
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole (CID 3532439) is 6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole is Cc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5[nH]4)n3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole?
The InChIKey is CXHVMCLLVSAXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-12-6-8-14-18(10-12)25-20(23-14)16-4-3-5-17(22-16)21-24-15-9-7-13(2)11-19(15)26-21/h3-11H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole?
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole has a molecular weight of 339.40 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 3532439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).