2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine

C14H20N4O — CID 106720576

IUPAC2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CCc2ccncc2)cn1
InChIInChI=1S/C14H20N4O/c1-19-9-7-16-10-14-11-18(12-17-14)8-4-13-2-5-15-6-3-13/h2-3,5-6,11-12,16H,4,7-10H2,1H3
InChIKeyJJZWQVYCXZLPFC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.26
Rot. Bonds8

About 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 106720576) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
PubChem CID106720576
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CCc2ccncc2)cn1
InChIInChI=1S/C14H20N4O/c1-19-9-7-16-10-14-11-18(12-17-14)8-4-13-2-5-15-6-3-13/h2-3,5-6,11-12,16H,4,7-10H2,1H3
InChIKeyJJZWQVYCXZLPFC-UHFFFAOYSA-N
XLogP1.26
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.26
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

2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106720525
N-[[1-(3-imidazol-1-ylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720542
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
N-methyl-2-[1-(2-pyridin-4-ylethyl)imidazol-4-yl]ethanamine
CID 79985908
2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106720444
N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 114204437
4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720634
N-[[1-(3-ethylsulfonylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720370
methyl 4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanoate
CID 106720528
2-methoxy-N-[[1-(thiophen-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106720472

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine (CID 106720576) is 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine is COCCNCc1cn(CCc2ccncc2)cn1.
What is the InChIKey of 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is JJZWQVYCXZLPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-19-9-7-16-10-14-11-18(12-17-14)8-4-13-2-5-15-6-3-13/h2-3,5-6,11-12,16H,4,7-10H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106720576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).