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

C12H22BrN5 — CID 84744538

IUPAC2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(C(CN)c2[nH]cnc2Br)CC1
InChIInChI=1S/C12H22BrN5/c1-9(2)17-3-5-18(6-4-17)10(7-14)11-12(13)16-8-15-11/h8-10H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyOAEUOBWPWJZNGM-UHFFFAOYSA-N
MW316.25 g/mol
LogP1.20
Rot. Bonds4

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

2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (PubChem CID 84744538) has the molecular formula C12H22BrN5 and a molecular weight of 316.25 g/mol. Its IUPAC name is 2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
PubChem CID84744538
Molecular FormulaC12H22BrN5
Molecular Weight316.25 g/mol
Exact Mass315.11
IUPAC Name2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(C(CN)c2[nH]cnc2Br)CC1
InChIInChI=1S/C12H22BrN5/c1-9(2)17-3-5-18(6-4-17)10(7-14)11-12(13)16-8-15-11/h8-10H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyOAEUOBWPWJZNGM-UHFFFAOYSA-N
XLogP1.20
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 84744146
2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 84741551
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 84744145
2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine
CID 63986417
2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585100
2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
CID 63052102
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 84745591
2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585183
2-(5-ethylfuran-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 62344941
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 84744534
2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
CID 84743696

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (CID 84744538) is 2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is CC(C)N1CCN(C(CN)c2[nH]cnc2Br)CC1.
What is the InChIKey of 2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is OAEUOBWPWJZNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN5/c1-9(2)17-3-5-18(6-4-17)10(7-14)11-12(13)16-8-15-11/h8-10H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 316.25 g/mol, XLogP of 1.20, 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-propan-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 84744538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).