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

C19H13N5 — CID 738986

IUPAC2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
SMILESc1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-11H,(H,21,22)(H,23,24)
InChIKeyJBKICBDXAZNSKA-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.17
Rot. Bonds2

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

2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole (PubChem CID 738986) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
PubChem CID738986
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
SMILESc1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-11H,(H,21,22)(H,23,24)
InChIKeyJBKICBDXAZNSKA-UHFFFAOYSA-N
XLogP4.17
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole (CID 738986) is 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole is c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole?
The InChIKey is JBKICBDXAZNSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-11H,(H,21,22)(H,23,24).
What are the key properties of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole?
2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole has a molecular weight of 311.35 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 738986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).