1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole

C21H17N5 — CID 53382915

IUPAC1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole
SMILESCC(c1nc2ccccc2[nH]1)n1c(-c2ccncc2)nc2ccccc21
InChIInChI=1S/C21H17N5/c1-14(20-23-16-6-2-3-7-17(16)24-20)26-19-9-5-4-8-18(19)25-21(26)15-10-12-22-13-11-15/h2-14H,1H3,(H,23,24)
InChIKeyWTWNNKBVWGVZBP-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.58
Rot. Bonds3

About 1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole

1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole (PubChem CID 53382915) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole
PubChem CID53382915
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole
SMILESCC(c1nc2ccccc2[nH]1)n1c(-c2ccncc2)nc2ccccc21
InChIInChI=1S/C21H17N5/c1-14(20-23-16-6-2-3-7-17(16)24-20)26-19-9-5-4-8-18(19)25-21(26)15-10-12-22-13-11-15/h2-14H,1H3,(H,23,24)
InChIKeyWTWNNKBVWGVZBP-UHFFFAOYSA-N
XLogP4.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole (CID 53382915) is 1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole is CC(c1nc2ccccc2[nH]1)n1c(-c2ccncc2)nc2ccccc21.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole?
The InChIKey is WTWNNKBVWGVZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-14(20-23-16-6-2-3-7-17(16)24-20)26-19-9-5-4-8-18(19)25-21(26)15-10-12-22-13-11-15/h2-14H,1H3,(H,23,24).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole?
1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole has a molecular weight of 339.40 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyridin-4-ylbenzimidazole is sourced from PubChem (CID 53382915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).