2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine

C12H15BrN4 — CID 113455792

IUPAC2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine
SMILESCNCCc1cn(Cc2cncc(Br)c2)cn1
InChIInChI=1S/C12H15BrN4/c1-14-3-2-12-8-17(9-16-12)7-10-4-11(13)6-15-5-10/h4-6,8-9,14H,2-3,7H2,1H3
InChIKeyHZDSHDBJHVGMJC-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.85
Rot. Bonds5

About 2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine

2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine (PubChem CID 113455792) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine
PubChem CID113455792
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine
SMILESCNCCc1cn(Cc2cncc(Br)c2)cn1
InChIInChI=1S/C12H15BrN4/c1-14-3-2-12-8-17(9-16-12)7-10-4-11(13)6-15-5-10/h4-6,8-9,14H,2-3,7H2,1H3
InChIKeyHZDSHDBJHVGMJC-UHFFFAOYSA-N
XLogP1.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine 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

N-[2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 104810309
N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718876
2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
CID 79985411
N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79985488
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718523
N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79985317
N-methyl-2-[1-(2-pyridin-4-ylethyl)imidazol-4-yl]ethanamine
CID 79985908
2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 106793406
N-methyl-2-[1-(2-propan-2-yloxyethyl)imidazol-4-yl]ethanamine
CID 79985732
N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 112651274
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718891
N-methyl-2-[1-(naphthalen-1-ylmethyl)imidazol-4-yl]ethanamine
CID 79985728

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine (CID 113455792) is 2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine is CNCCc1cn(Cc2cncc(Br)c2)cn1.
What is the InChIKey of 2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine?
The InChIKey is HZDSHDBJHVGMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-14-3-2-12-8-17(9-16-12)7-10-4-11(13)6-15-5-10/h4-6,8-9,14H,2-3,7H2,1H3.
What are the key properties of 2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine?
2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine has a molecular weight of 295.18 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 113455792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).