N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine

C12H15FN4O — CID 114254464

IUPACN-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn(-c2cncc(F)c2)cn1
InChIInChI=1S/C12H15FN4O/c1-18-3-2-14-6-11-8-17(9-16-11)12-4-10(13)5-15-7-12/h4-5,7-9,14H,2-3,6H2,1H3
InChIKeyUBBMYNPQGTYVTQ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.14
Rot. Bonds6

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

N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 114254464) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID114254464
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC NameN-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn(-c2cncc(F)c2)cn1
InChIInChI=1S/C12H15FN4O/c1-18-3-2-14-6-11-8-17(9-16-11)12-4-10(13)5-15-7-12/h4-5,7-9,14H,2-3,6H2,1H3
InChIKeyUBBMYNPQGTYVTQ-UHFFFAOYSA-N
XLogP1.14
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503068
N-[[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720607
2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 106720576
N-[[1-(3-chloro-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 107370965
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
N-[[1-(3-imidazol-1-ylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720542
N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114223441
2-N-[(5-fluoro-3-pyridinyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113452860
N-(2-methoxyethyl)-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetamide
CID 106720510
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106720525
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720417
2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 114204437

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine (CID 114254464) is N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cn(-c2cncc(F)c2)cn1.
What is the InChIKey of N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is UBBMYNPQGTYVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-18-3-2-14-6-11-8-17(9-16-11)12-4-10(13)5-15-7-12/h4-5,7-9,14H,2-3,6H2,1H3.
What are the key properties of N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 250.28 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114254464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).