4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole

C17H17Br2N5 — CID 10225902

IUPAC4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
SMILESBrc1cc(Br)c2nc(CN3CCN(c4ccccn4)CC3)[nH]c2c1
InChIInChI=1S/C17H17Br2N5/c18-12-9-13(19)17-14(10-12)21-15(22-17)11-23-5-7-24(8-6-23)16-3-1-2-4-20-16/h1-4,9-10H,5-8,11H2,(H,21,22)
InChIKeyQXIHXJBCHQNHHK-UHFFFAOYSA-N
MW451.17 g/mol
LogP3.81
Rot. Bonds3

About 4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole

4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole (PubChem CID 10225902) has the molecular formula C17H17Br2N5 and a molecular weight of 451.17 g/mol. Its IUPAC name is 4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
PubChem CID10225902
Molecular FormulaC17H17Br2N5
Molecular Weight451.17 g/mol
Exact Mass448.99
IUPAC Name4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
SMILESBrc1cc(Br)c2nc(CN3CCN(c4ccccn4)CC3)[nH]c2c1
InChIInChI=1S/C17H17Br2N5/c18-12-9-13(19)17-14(10-12)21-15(22-17)11-23-5-7-24(8-6-23)16-3-1-2-4-20-16/h1-4,9-10H,5-8,11H2,(H,21,22)
InChIKeyQXIHXJBCHQNHHK-UHFFFAOYSA-N
XLogP3.81
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.17
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole (CID 10225902) is 4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole is Brc1cc(Br)c2nc(CN3CCN(c4ccccn4)CC3)[nH]c2c1.
What is the InChIKey of 4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
The InChIKey is QXIHXJBCHQNHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2N5/c18-12-9-13(19)17-14(10-12)21-15(22-17)11-23-5-7-24(8-6-23)16-3-1-2-4-20-16/h1-4,9-10H,5-8,11H2,(H,21,22).
What are the key properties of 4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole has a molecular weight of 451.17 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 10225902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).