N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine

C13H17BrN4 — CID 104811800

IUPACN-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1Cc1cncc(Br)c1
InChIInChI=1S/C13H17BrN4/c1-3-15-7-13-8-17-10(2)18(13)9-11-4-12(14)6-16-5-11/h4-6,8,15H,3,7,9H2,1-2H3
InChIKeyXAIZTLLDSTYOND-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.51
Rot. Bonds5

About N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine

N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine (PubChem CID 104811800) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
PubChem CID104811800
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC NameN-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1Cc1cncc(Br)c1
InChIInChI=1S/C13H17BrN4/c1-3-15-7-13-8-17-10(2)18(13)9-11-4-12(14)6-16-5-11/h4-6,8,15H,3,7,9H2,1-2H3
InChIKeyXAIZTLLDSTYOND-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 104811795
N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 82924721
N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172672
N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718876
N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172669
N-[[3-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 106272907
N-[(3-butyl-2-methylimidazol-4-yl)methyl]ethanamine
CID 65172409
N-[[3-[(2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 114934374
N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine
CID 65173134
N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172513
N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 65172516
N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 65173082

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine (CID 104811800) is N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine is CCNCc1cnc(C)n1Cc1cncc(Br)c1.
What is the InChIKey of N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
The InChIKey is XAIZTLLDSTYOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-3-15-7-13-8-17-10(2)18(13)9-11-4-12(14)6-16-5-11/h4-6,8,15H,3,7,9H2,1-2H3.
What are the key properties of N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine has a molecular weight of 309.21 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 104811800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).