2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine

C13H17BrN4 — CID 107977346

IUPAC2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1cn(C)cn1
InChIInChI=1S/C13H17BrN4/c1-3-15-12(13-8-18(2)9-17-13)6-11-5-4-10(14)7-16-11/h4-5,7-9,12,15H,3,6H2,1-2H3
InChIKeyQETPLZHWDYYLES-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.47
Rot. Bonds5

About 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine (PubChem CID 107977346) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
PubChem CID107977346
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1cn(C)cn1
InChIInChI=1S/C13H17BrN4/c1-3-15-12(13-8-18(2)9-17-13)6-11-5-4-10(14)7-16-11/h4-5,7-9,12,15H,3,6H2,1-2H3
InChIKeyQETPLZHWDYYLES-UHFFFAOYSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107976951
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975696
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104802174
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974435
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105181081
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107975481
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755829
N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine
CID 107976217
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine (CID 107977346) is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine is CCNC(Cc1ccc(Br)cn1)c1cn(C)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine?
The InChIKey is QETPLZHWDYYLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-3-15-12(13-8-18(2)9-17-13)6-11-5-4-10(14)7-16-11/h4-5,7-9,12,15H,3,6H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine?
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine has a molecular weight of 309.21 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 107977346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).