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

C12H15BrN4 — CID 106718876

IUPACN-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2cncc(Br)c2)cn1
InChIInChI=1S/C12H15BrN4/c1-2-14-6-12-8-17(9-16-12)7-10-3-11(13)5-15-4-10/h3-5,8-9,14H,2,6-7H2,1H3
InChIKeyPMJXQNGEIKVGCB-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.20
Rot. Bonds5

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

N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 106718876) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
PubChem CID106718876
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC NameN-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2cncc(Br)c2)cn1
InChIInChI=1S/C12H15BrN4/c1-2-14-6-12-8-17(9-16-12)7-10-3-11(13)5-15-4-10/h3-5,8-9,14H,2,6-7H2,1H3
InChIKeyPMJXQNGEIKVGCB-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718891
N-[2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 104810309
2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine
CID 113455792
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718575
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718523
N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 104811800
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine
CID 104801202
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719982
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine
CID 104801171
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 104801282
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718718
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718824

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine (CID 106718876) is N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2cncc(Br)c2)cn1.
What is the InChIKey of N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is PMJXQNGEIKVGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-2-14-6-12-8-17(9-16-12)7-10-3-11(13)5-15-4-10/h3-5,8-9,14H,2,6-7H2,1H3.
What are the key properties of N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine?
N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 295.18 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106718876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).