4-piperazin-1-yl-1H-benzimidazole;trihydrobromide

C11H17Br3N4 — CID 3069489

IUPAC4-piperazin-1-yl-1H-benzimidazole;trihydrobromide
SMILESBr.Br.Br.c1cc(N2CCNCC2)c2nc[nH]c2c1
InChIInChI=1S/C11H14N4.3BrH/c1-2-9-11(14-8-13-9)10(3-1)15-6-4-12-5-7-15;;;/h1-3,8,12H,4-7H2,(H,13,14);3*1H
InChIKeyWPEOQBGHNTUXON-UHFFFAOYSA-N
MW445.00 g/mol
LogP2.71
Rot. Bonds1

About 4-piperazin-1-yl-1H-benzimidazole;trihydrobromide

4-piperazin-1-yl-1H-benzimidazole;trihydrobromide (PubChem CID 3069489) has the molecular formula C11H17Br3N4 and a molecular weight of 445.00 g/mol. Its IUPAC name is 4-piperazin-1-yl-1H-benzimidazole;trihydrobromide.

Molecular Properties

Compound Name4-piperazin-1-yl-1H-benzimidazole;trihydrobromide
PubChem CID3069489
Molecular FormulaC11H17Br3N4
Molecular Weight445.00 g/mol
Exact Mass441.90
IUPAC Name4-piperazin-1-yl-1H-benzimidazole;trihydrobromide
SMILESBr.Br.Br.c1cc(N2CCNCC2)c2nc[nH]c2c1
InChIInChI=1S/C11H14N4.3BrH/c1-2-9-11(14-8-13-9)10(3-1)15-6-4-12-5-7-15;;;/h1-3,8,12H,4-7H2,(H,13,14);3*1H
InChIKeyWPEOQBGHNTUXON-UHFFFAOYSA-N
XLogP2.71
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.00
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-1H-benzimidazole;trihydrobromide?
The IUPAC name of 4-piperazin-1-yl-1H-benzimidazole;trihydrobromide (CID 3069489) is 4-piperazin-1-yl-1H-benzimidazole;trihydrobromide.
What is the SMILES notation for 4-piperazin-1-yl-1H-benzimidazole;trihydrobromide?
The canonical SMILES for 4-piperazin-1-yl-1H-benzimidazole;trihydrobromide is Br.Br.Br.c1cc(N2CCNCC2)c2nc[nH]c2c1.
What is the InChIKey of 4-piperazin-1-yl-1H-benzimidazole;trihydrobromide?
The InChIKey is WPEOQBGHNTUXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.3BrH/c1-2-9-11(14-8-13-9)10(3-1)15-6-4-12-5-7-15;;;/h1-3,8,12H,4-7H2,(H,13,14);3*1H.
What are the key properties of 4-piperazin-1-yl-1H-benzimidazole;trihydrobromide?
4-piperazin-1-yl-1H-benzimidazole;trihydrobromide has a molecular weight of 445.00 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-1H-benzimidazole;trihydrobromide is sourced from PubChem (CID 3069489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).