2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine

C11H20BrN5 — CID 84744145

IUPAC2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCc1nc(Br)c(C(CN)N2CCN(C)CC2)[nH]1
InChIInChI=1S/C11H20BrN5/c1-8-14-10(11(12)15-8)9(7-13)17-5-3-16(2)4-6-17/h9H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyVGPADRTYTSXEMP-UHFFFAOYSA-N
MW302.22 g/mol
LogP0.73
Rot. Bonds3

About 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine

2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 84744145) has the molecular formula C11H20BrN5 and a molecular weight of 302.22 g/mol. Its IUPAC name is 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID84744145
Molecular FormulaC11H20BrN5
Molecular Weight302.22 g/mol
Exact Mass301.09
IUPAC Name2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCc1nc(Br)c(C(CN)N2CCN(C)CC2)[nH]1
InChIInChI=1S/C11H20BrN5/c1-8-14-10(11(12)15-8)9(7-13)17-5-3-16(2)4-6-17/h9H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyVGPADRTYTSXEMP-UHFFFAOYSA-N
XLogP0.73
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 84744537
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 84745591
2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 84741551
2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 83088573
2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84744538
2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 84744146
2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 43364591
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072
2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 79578678
2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine
CID 104504037
2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 115380278

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 84744145) is 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine is Cc1nc(Br)c(C(CN)N2CCN(C)CC2)[nH]1.
What is the InChIKey of 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is VGPADRTYTSXEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN5/c1-8-14-10(11(12)15-8)9(7-13)17-5-3-16(2)4-6-17/h9H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 302.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 84744145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).