1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine

C8H13BrN4 — CID 117189330

IUPAC1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine
SMILESCN1CCN(c2ncc(Br)[nH]2)CC1
InChIInChI=1S/C8H13BrN4/c1-12-2-4-13(5-3-12)8-10-6-7(9)11-8/h6H,2-5H2,1H3,(H,10,11)
InChIKeyQBDTXAQFZOVRFR-UHFFFAOYSA-N
MW245.12 g/mol
LogP0.92
Rot. Bonds1

About 1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine

1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine (PubChem CID 117189330) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine
PubChem CID117189330
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC Name1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine
SMILESCN1CCN(c2ncc(Br)[nH]2)CC1
InChIInChI=1S/C8H13BrN4/c1-12-2-4-13(5-3-12)8-10-6-7(9)11-8/h6H,2-5H2,1H3,(H,10,11)
InChIKeyQBDTXAQFZOVRFR-UHFFFAOYSA-N
XLogP0.92
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(E)-but-2-en-2-yl]-1H-imidazol-2-yl]-4-methylpiperazine
CID 145088392
N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 55177285
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 55178060
4,5,6,7-tetrabromo-2-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 52935747
5-bromo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 66316571
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine
CID 122502388
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 99983541
1-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-4-methyl-1,4-diazepane
CID 87371172
4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 70082198

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine?
The IUPAC name of 1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine (CID 117189330) is 1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine is CN1CCN(c2ncc(Br)[nH]2)CC1.
What is the InChIKey of 1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine?
The InChIKey is QBDTXAQFZOVRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c1-12-2-4-13(5-3-12)8-10-6-7(9)11-8/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine?
1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine has a molecular weight of 245.12 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine is sourced from PubChem (CID 117189330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).