1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine

C9H15BrN4 — CID 117188331

IUPAC1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
SMILESCn1c(Br)cnc1CN1CCNCC1
InChIInChI=1S/C9H15BrN4/c1-13-8(10)6-12-9(13)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3
InChIKeyHPAWHZWVLLDHRZ-UHFFFAOYSA-N
MW259.15 g/mol
LogP0.59
Rot. Bonds2

About 1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine

1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine (PubChem CID 117188331) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
PubChem CID117188331
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
SMILESCn1c(Br)cnc1CN1CCNCC1
InChIInChI=1S/C9H15BrN4/c1-13-8(10)6-12-9(13)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3
InChIKeyHPAWHZWVLLDHRZ-UHFFFAOYSA-N
XLogP0.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-1-methylimidazol-2-yl)piperazine
CID 117190420
7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 84646092
1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine
CID 83903383
1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine
CID 82623000
1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperazine
CID 83901819
1-methyl-2-(piperazin-1-ylmethyl)imidazol-4-amine
CID 117187169
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine
CID 84810022
1-[(1-tert-butylimidazol-2-yl)methyl]piperazine
CID 174287365
5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 84780252
1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepane
CID 115741251
N-methyl-3-(piperazin-1-ylmethyl)pyrazin-2-amine
CID 82507442

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine?
The IUPAC name of 1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine (CID 117188331) is 1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine is Cn1c(Br)cnc1CN1CCNCC1.
What is the InChIKey of 1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine?
The InChIKey is HPAWHZWVLLDHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-13-8(10)6-12-9(13)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3.
What are the key properties of 1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine?
1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine has a molecular weight of 259.15 g/mol, XLogP of 0.59, 2 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)methyl]piperazine is sourced from PubChem (CID 117188331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).