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

C12H22BrN5 — CID 84744537

IUPAC2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCNCC(c1[nH]c(C)nc1Br)N1CCN(C)CC1
InChIInChI=1S/C12H22BrN5/c1-9-15-11(12(13)16-9)10(8-14-2)18-6-4-17(3)5-7-18/h10,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyOBWSFQKVRSIWGA-UHFFFAOYSA-N
MW316.25 g/mol
LogP0.99
Rot. Bonds4

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

2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 84744537) has the molecular formula C12H22BrN5 and a molecular weight of 316.25 g/mol. Its IUPAC name is 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID84744537
Molecular FormulaC12H22BrN5
Molecular Weight316.25 g/mol
Exact Mass315.11
IUPAC Name2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCNCC(c1[nH]c(C)nc1Br)N1CCN(C)CC1
InChIInChI=1S/C12H22BrN5/c1-9-15-11(12(13)16-9)10(8-14-2)18-6-4-17(3)5-7-18/h10,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyOBWSFQKVRSIWGA-UHFFFAOYSA-N
XLogP0.99
TPSA47.19 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 ≤ 50.99
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-methylpiperazin-1-yl)ethanamine
CID 84745591
2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 84743632
2-(2,3-dichlorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692567
2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine
CID 84745718
2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745756
2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692556
2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine
CID 84745652
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 84742153
2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692561
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
CID 84743603
2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine
CID 84744118

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine (CID 84744537) is 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine is CNCC(c1[nH]c(C)nc1Br)N1CCN(C)CC1.
What is the InChIKey of 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is OBWSFQKVRSIWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN5/c1-9-15-11(12(13)16-9)10(8-14-2)18-6-4-17(3)5-7-18/h10,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 316.25 g/mol, XLogP of 0.99, 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-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 84744537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).