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

C16H22BrN5 — CID 84745591

IUPAC2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2[nH]c(-c3ccccc3)nc2Br)CC1
InChIInChI=1S/C16H22BrN5/c1-21-7-9-22(10-8-21)13(11-18)14-15(17)20-16(19-14)12-5-3-2-4-6-12/h2-6,13H,7-11,18H2,1H3,(H,19,20)
InChIKeyMLUCPCQJBQBQRP-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.09
Rot. Bonds4

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

2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 84745591) has the molecular formula C16H22BrN5 and a molecular weight of 364.29 g/mol. Its IUPAC name is 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID84745591
Molecular FormulaC16H22BrN5
Molecular Weight364.29 g/mol
Exact Mass363.11
IUPAC Name2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2[nH]c(-c3ccccc3)nc2Br)CC1
InChIInChI=1S/C16H22BrN5/c1-21-7-9-22(10-8-21)13(11-18)14-15(17)20-16(19-14)12-5-3-2-4-6-12/h2-6,13H,7-11,18H2,1H3,(H,19,20)
InChIKeyMLUCPCQJBQBQRP-UHFFFAOYSA-N
XLogP2.09
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 84744145
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
CID 84745698
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 84744537
2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine
CID 104504037
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 84741551
2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 84744185
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84743596
2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84743590
2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine
CID 43209319
2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84744538
2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 43364591

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 84745591) is 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine is CN1CCN(C(CN)c2[nH]c(-c3ccccc3)nc2Br)CC1.
What is the InChIKey of 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is MLUCPCQJBQBQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN5/c1-21-7-9-22(10-8-21)13(11-18)14-15(17)20-16(19-14)12-5-3-2-4-6-12/h2-6,13H,7-11,18H2,1H3,(H,19,20).
What are the key properties of 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 364.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 84745591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).