N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine

C12H15BrN4 — CID 113454806

IUPACN-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1ccc(Br)cn1
InChIInChI=1S/C12H15BrN4/c1-2-14-8-12-15-5-6-17(12)9-11-4-3-10(13)7-16-11/h3-7,14H,2,8-9H2,1H3
InChIKeyDDOQDZMWZDVIFR-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.20
Rot. Bonds5

About N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine

N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 113454806) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID113454806
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC NameN-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1ccc(Br)cn1
InChIInChI=1S/C12H15BrN4/c1-2-14-8-12-15-5-6-17(12)9-11-4-3-10(13)7-16-11/h3-7,14H,2,8-9H2,1H3
InChIKeyDDOQDZMWZDVIFR-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

5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801414
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 62222148
N-[[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79701330
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 64784248
N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223377
N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66142150
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222511
N-[[1-[(3-ethylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66153964
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine (CID 113454806) is N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1Cc1ccc(Br)cn1.
What is the InChIKey of N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is DDOQDZMWZDVIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-2-14-8-12-15-5-6-17(12)9-11-4-3-10(13)7-16-11/h3-7,14H,2,8-9H2,1H3.
What are the key properties of N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine?
N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-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-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 113454806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).