6-bromo-2-piperazin-1-yl-1H-benzimidazole

C11H13BrN4 — CID 82563523

IUPAC6-bromo-2-piperazin-1-yl-1H-benzimidazole
SMILESBrc1ccc2nc(N3CCNCC3)[nH]c2c1
InChIInChI=1S/C11H13BrN4/c12-8-1-2-9-10(7-8)15-11(14-9)16-5-3-13-4-6-16/h1-2,7,13H,3-6H2,(H,14,15)
InChIKeyZOSLJTSIIFXXHG-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.74
Rot. Bonds1

About 6-bromo-2-piperazin-1-yl-1H-benzimidazole

6-bromo-2-piperazin-1-yl-1H-benzimidazole (PubChem CID 82563523) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 6-bromo-2-piperazin-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-piperazin-1-yl-1H-benzimidazole
PubChem CID82563523
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name6-bromo-2-piperazin-1-yl-1H-benzimidazole
SMILESBrc1ccc2nc(N3CCNCC3)[nH]c2c1
InChIInChI=1S/C11H13BrN4/c12-8-1-2-9-10(7-8)15-11(14-9)16-5-3-13-4-6-16/h1-2,7,13H,3-6H2,(H,14,15)
InChIKeyZOSLJTSIIFXXHG-UHFFFAOYSA-N
XLogP1.74
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-6-methyl-1H-benzimidazole
CID 71022581
ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate
CID 82563531
6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
CID 142734957
6-bromo-2-piperazin-1-yl-1,3-benzothiazole
CID 42281675
2-(azepan-1-yl)-6-methyl-1H-benzimidazole
CID 110376234
1-[(6-bromo-1H-benzimidazol-2-yl)methyl]piperazin-2-one
CID 118661050
2-[4-(bromomethyl)piperidin-1-yl]-6-fluoro-1H-benzimidazole
CID 103295605
6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole
CID 55178535
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46359079
2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
CID 82563117
6-bromo-2-(1-chloroethyl)-1H-benzimidazole
CID 47003349

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-piperazin-1-yl-1H-benzimidazole?
The IUPAC name of 6-bromo-2-piperazin-1-yl-1H-benzimidazole (CID 82563523) is 6-bromo-2-piperazin-1-yl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-piperazin-1-yl-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-piperazin-1-yl-1H-benzimidazole is Brc1ccc2nc(N3CCNCC3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-piperazin-1-yl-1H-benzimidazole?
The InChIKey is ZOSLJTSIIFXXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c12-8-1-2-9-10(7-8)15-11(14-9)16-5-3-13-4-6-16/h1-2,7,13H,3-6H2,(H,14,15).
What are the key properties of 6-bromo-2-piperazin-1-yl-1H-benzimidazole?
6-bromo-2-piperazin-1-yl-1H-benzimidazole has a molecular weight of 281.16 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-piperazin-1-yl-1H-benzimidazole is sourced from PubChem (CID 82563523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).