1-(5-bromo-1-methylimidazol-2-yl)piperazine

C8H13BrN4 — CID 117190420

IUPAC1-(5-bromo-1-methylimidazol-2-yl)piperazine
SMILESCn1c(Br)cnc1N1CCNCC1
InChIInChI=1S/C8H13BrN4/c1-12-7(9)6-11-8(12)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3
InChIKeyPNAGMSYBZSQAJU-UHFFFAOYSA-N
MW245.12 g/mol
LogP0.59
Rot. Bonds1

About 1-(5-bromo-1-methylimidazol-2-yl)piperazine

1-(5-bromo-1-methylimidazol-2-yl)piperazine (PubChem CID 117190420) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(5-bromo-1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-(5-bromo-1-methylimidazol-2-yl)piperazine
PubChem CID117190420
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC Name1-(5-bromo-1-methylimidazol-2-yl)piperazine
SMILESCn1c(Br)cnc1N1CCNCC1
InChIInChI=1S/C8H13BrN4/c1-12-7(9)6-11-8(12)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3
InChIKeyPNAGMSYBZSQAJU-UHFFFAOYSA-N
XLogP0.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
CID 117188331
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
3,5-dibromo-8-piperazin-1-ylimidazo[1,2-a]pyrazine
CID 10316512
4,6,7-tribromo-1,5-dimethyl-2-piperazin-1-ylbenzimidazole
CID 123673392
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole
CID 117190585
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
1-(5-bromo-1-propan-2-ylimidazol-2-yl)piperidine
CID 117190594
7-methyl-2-piperazin-1-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 14553092
1-oxido-2-piperazin-1-ylpyrazin-1-ium;hydrochloride
CID 160614600
5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride
CID 171935098
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-(5-bromo-1-methylimidazol-2-yl)piperazine (CID 117190420) is 1-(5-bromo-1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-(5-bromo-1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-(5-bromo-1-methylimidazol-2-yl)piperazine is Cn1c(Br)cnc1N1CCNCC1.
What is the InChIKey of 1-(5-bromo-1-methylimidazol-2-yl)piperazine?
The InChIKey is PNAGMSYBZSQAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c1-12-7(9)6-11-8(12)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3.
What are the key properties of 1-(5-bromo-1-methylimidazol-2-yl)piperazine?
1-(5-bromo-1-methylimidazol-2-yl)piperazine has a molecular weight of 245.12 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 117190420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).