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

C11H20BrN5 — CID 84744146

IUPAC2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2[nH]cnc2Br)CC1
InChIInChI=1S/C11H20BrN5/c1-2-16-3-5-17(6-4-16)9(7-13)10-11(12)15-8-14-10/h8-9H,2-7,13H2,1H3,(H,14,15)
InChIKeyXPZQJZFJJQATTH-UHFFFAOYSA-N
MW302.22 g/mol
LogP0.81
Rot. Bonds4

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

2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine (PubChem CID 84744146) has the molecular formula C11H20BrN5 and a molecular weight of 302.22 g/mol. Its IUPAC name is 2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
PubChem CID84744146
Molecular FormulaC11H20BrN5
Molecular Weight302.22 g/mol
Exact Mass301.09
IUPAC Name2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2[nH]cnc2Br)CC1
InChIInChI=1S/C11H20BrN5/c1-2-16-3-5-17(6-4-16)9(7-13)10-11(12)15-8-14-10/h8-9H,2-7,13H2,1H3,(H,14,15)
InChIKeyXPZQJZFJJQATTH-UHFFFAOYSA-N
XLogP0.81
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine (CID 84744146) is 2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine is CCN1CCN(C(CN)c2[nH]cnc2Br)CC1.
What is the InChIKey of 2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The InChIKey is XPZQJZFJJQATTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN5/c1-2-16-3-5-17(6-4-16)9(7-13)10-11(12)15-8-14-10/h8-9H,2-7,13H2,1H3,(H,14,15).
What are the key properties of 2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine has a molecular weight of 302.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 84744146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).